formula_sc,formula_similarity,totreldiff,formula_frac,correct_formula_frac,formula_2,orig_formula_cif,tc,sc_class,sc_class_unique_sc,norm_formula_sc,chemical_composition_sc,num_elements_sc,origin_sc,old_formula_sc,database_id_2,original_formula_2,chemical_composition_2,norm_formula_2,spacegroup_2,crystal_system_2,lata_2,latb_2,latc_2,cif,original_cif_2,material_id_2,band_gap_2,band_structure_2,created_at_2,density_2,doi_2,doi_bibtex_2,dos_2,e_above_hull_2,efermi_2,encut_2,energy_2,energy_per_atom_2,exp_2,final_energy_2,final_energy_per_atom_2,formation_energy_per_atom_2,has_2,has_bandstructure_2,icsd_ids_2,is_ordered_2,last_updated_2,magnetic_type_2,nsites_2,ntask_ids_2,original_task_id_2,oxide_type_2,pretty_formula_2,pseudo_potential_2,reduced_cell_formula_2,run_type_2,task_id_2,task_ids_2,total_magnetization_2,unit_cell_formula_2,cell_volume_2,warnings_2,ordering_2,is_magnetic_2,exchange_symmetry_2,num_unique_magnetic_sites_2,magmoms_2,total_magnetization_normalized_vol_2,total_magnetization_normalized_formula_units_2,num_magnetic_sites_2,true_total_magnetization_2,origin_2,cif_before_synthetic_doping,synth_doped,Reason for exclusion,graph,crystal_temp_2,no_crystal_temp_given_2,point_group_2,cubic,hexagonal,monoclinic,orthorhombic,tetragonal,triclinic,trigonal,primitive,base-centered,body-centered,face-centered,weight,cif_exists
As1Ca1F1Fe0.95Rh0.05,2,0.025,2.0,False,As2Ca2F2Fe1.9Rh0.1,As2Ca2F2Fe2,3.81,Ferrite,True,As25Ca25F25Fe23.75Rh1.25,As-Ca-F-Fe-Rh,5,Supercon,Ca1Fe0.95Rh0.05As1F1,MP-mp-1079859,Ca2Fe2As2F2,As-Ca-F-Fe,As25Ca25F25Fe25,P m m n,orthorhombic,3.933336,3.981276,9.018918,data/final/MP/cifs/As1Ca1F1Fe0.95Rh0.05-MP-mp-1079859-synth_doped.cif,data/source/MP/raw/cifs/mp-1079859.cif,mp-1079859,0.0,,2018-04-16 14:43:21,4.464120586611354,,,{'GGA+U': {'task_id': 'mp-1695365'}},0.2859614887499973,4.27317878,520.0,-41.71531675,-5.21441459375,"{'tags': ['Calcium iron arsenide fluoride', 'High pressure experimental phase']}",-41.71531675,-5.21441459375,-1.632363168125,['bandstructure'],True,[186505],True,2021-05-12 10:58:16.596000,FM,8,6,mp-1079859,,CaFeAsF,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Fe_pv', 'As', 'F'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Fe': 1.0, 'As': 1.0, 'F': 1.0}",GGA+U,mp-1079859,"['mp-1079859', 'mp-1475687', 'mp-1695365', 'mp-1785040', 'mp-1938652', 'mp-1594699']",3.7150606,"{'Ca': 2.0, 'Fe': 2.0, 'As': 2.0, 'F': 2.0}",141.2335160836522,[],FM,True,59,1,"[0.0, 0.0, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0]",0.0526087674231601,3.7150606,2,7.4301212,MP,data/source/MP/cleaned/cifs/MP-mp-1079859.cif,True,,data/final/MP/graphs/As1Ca1F1Fe0.95Rh0.05-MP-mp-1079859-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
B2C1Lu0.7Ni2Y0.3,3,0.1,1.0,True,B2C1Lu0.7Ni2Y0.3,B2C1Lu1Ni2,15.0,Other,True,B33.333C16.667Lu11.667Ni33.333Y5,B-C-Lu-Ni-Y,5,Supercon,Y0.3Lu0.7Ni2B2C1,MP-mp-6544,Lu1Ni2B2C1,B-C-Lu-Ni,B33.333C16.667Lu16.667Ni33.333,I 4/m m m,tetragonal,3.4660159989239463,3.4660159989239463,5.81490896,data/final/MP/cifs/B2C1Lu0.7Ni2Y0.3-MP-mp-6544-synth_doped.cif,data/source/MP/raw/cifs/mp-6544.cif,mp-6544,0.0,,2011-05-13 04:17:06,8.54504130524706,10.17188/1281287,"@misc{osti_1281287,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LuNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281287"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702891'}},0.0,6.71335166,520.0,-41.78223818,-6.963706363333333,{'tags': []},-41.78223818,-6.963706363333333,-0.5192416763888884,"['xas', 'bandstructure']",True,"[75609, 83230, 79564]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6544,,LuNi2B2C,"{'functional': 'PBE', 'labels': ['Lu_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6544,"['mp-1000584', 'mp-1007055', 'mp-6544', 'mp-1441469', 'mp-1702891', 'mp-1783160', 'mp-1011794', 'mp-1588498']",0.0023161,"{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",63.34823894903922,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",3.656139520884231e-05,0.0023161,0,0.0023161,MP,data/source/MP/cleaned/cifs/MP-mp-6544.cif,True,,data/final/MP/graphs/B2C1Lu0.7Ni2Y0.3-MP-mp-6544-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Pd1.75Te2,3,0.0666666666666666,1.0,True,Pd1.75Te2,Pd2Te2,2.25,Other,True,Pd46.667Te53.333,Pd-Te,2,Supercon,Pd1.75Te2,MP-mp-564,Te2Pd2,Pd-Te,Pd50Te50,P 63/m m c,hexagonal,4.211913996826707,4.21191441,5.750165,data/final/MP/cifs/Pd1.75Te2-MP-mp-564-synth_doped.cif,data/source/MP/raw/cifs/mp-564.cif,mp-564,0.0,,2011-05-12 20:38:42,8.797556863442345,10.17188/1272402,"@misc{osti_1272402,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TePd (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1272402"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672092'}},0.0,7.00857104,520.0,-18.10773598,-4.526933995,"{'tags': ['Kotulskite', 'Palladium telluride (1/1) - HT', 'Palladium telluride']}",-18.10773598,-4.526933995,-0.5763426250000006,"['bandstructure', 'elasticity']",True,"[42552, 659960, 648992, 649009, 42553]",True,2021-05-12 10:56:22.739000,NM,4,8,mp-564,,TePd,"{'functional': 'PBE', 'labels': ['Te', 'Pd'], 'pot_type': 'paw'}","{'Te': 1.0, 'Pd': 1.0}",GGA,mp-564,"['mp-924879', 'mp-925457', 'mp-564', 'mp-909859', 'mp-1439012', 'mp-1672092', 'mp-1802280', 'mp-1589565']",0.00130155,"{'Te': 2.0, 'Pd': 2.0}",88.34256109910021,[],NM,False,194,0,"[0, 0, 0, 0]",2.946597843229737e-05,0.00130155,0,0.0026031,MP,data/source/MP/cleaned/cifs/MP-mp-564.cif,True,,data/final/MP/graphs/Pd1.75Te2-MP-mp-564-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ga0.247V0.753,2,0.006,8.0,False,Ga1.976V6.024,Ga2V6,13.8,Other,True,Ga24.7V75.3,Ga-V,2,Supercon,Ga0.247V0.753,MP-mp-22568,V6Ga2,Ga-V,Ga25V75,P m -3 n,cubic,4.789645,4.789645,4.789645,data/final/MP/cifs/Ga0.247V0.753-MP-mp-22568-synth_doped.cif,data/source/MP/raw/cifs/mp-22568.cif,mp-22568,0.0,,2014-02-22 11:36:40,6.726541666276222,10.17188/1198793,"@misc{osti_1198793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686867'}},0.0,5.67452231,520.0,-61.95244347,-7.74405543375,{'tags': ['Gallium vanadium (1/3)']},-61.95244347,-7.74405543375,-0.1741018756249994,"['xas', 'elasticity', 'bandstructure']",True,"[635643, 635628, 635619, 635634, 104021, 635646, 635604, 635610, 635617, 635624, 635626, 635605, 635631, 635625, 635636, 635603, 104020, 635616, 635607]",True,2021-05-12 10:56:16.728000,FM,8,9,mp-22568,,V3Ga,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ga': 1.0}",GGA,mp-22568,"['mp-941343', 'mp-941663', 'mp-934924', 'mp-22568', 'mp-1440749', 'mp-1686867', 'mp-1804076', 'mp-1593784', 'mp-1595713']",0.09063635,"{'V': 6.0, 'Ga': 2.0}",109.87780534443452,[],FM,True,131,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0, -0.0, -0.0]",0.0016497662965852,0.09063635,2,0.1812727,MP,data/source/MP/cleaned/cifs/MP-mp-22568.cif,True,,data/final/MP/graphs/Ga0.247V0.753-MP-mp-22568-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ce1Ru2,1,0.0,2.0,False,Ce2Ru4,Ce2Ru4,5.998272727,Heavy_fermion,True,Ce33.333Ru66.667,Ce-Ru,2,Supercon,Ce1Ru2,MP-mp-607,Ce2Ru4,Ce-Ru,Ce33.333Ru66.667,F d -3 m,cubic,5.35903077,5.35903077,5.35903077,data/final/MP/cifs/Ce1Ru2-MP-mp-607.cif,data/source/MP/raw/cifs/mp-607.cif,mp-607,0.0,,2011-05-13 22:34:26,10.444470046690055,10.17188/1277529,"@misc{osti_1277529,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeRu2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277529"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686879'}},0.0,8.61419203,520.0,-50.66413619,-8.444022698333333,"{'tags': ['Cerium ruthenium (1/2)', 'Cerium ruthenium hydride (1/2/4)']}",-50.66413619,-8.444022698333333,-0.2833998766666663,"['xas', 'elasticity', 'bandstructure']",True,"[621326, 656077, 621978, 621973, 621980, 621984, 102277, 621972, 621976, 621979, 604113, 621977, 621982, 621983, 102276, 656078]",True,2021-05-12 10:56:27.046000,NM,6,14,mp-607,,CeRu2,"{'functional': 'PBE', 'labels': ['Ce', 'Ru_pv'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Ru': 2.0}",GGA,mp-607,"['mp-928203', 'mp-912221', 'mp-928809', 'mp-607', 'mp-1071462', 'mp-1071593', 'mp-1071613', 'mp-1077792', 'mp-1440763', 'mp-1686879', 'mp-1803198', 'mp-1591928', 'mp-1591642', 'mp-1071635']",1.005e-05,"{'Ce': 2.0, 'Ru': 4.0}",108.82877852828122,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",1.846937939745105e-07,1.005e-05,0,2.01e-05,MP,data/source/MP/cleaned/cifs/MP-mp-607.cif,False,,data/final/MP/graphs/Ce1Ru2-MP-mp-607.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Nb0.55Ti0.45,3,0.1,2.0,False,Nb1.1Ti0.9,Nb1Ti1,9.4,Other,True,Nb55Ti45,Nb-Ti,2,Supercon,Nb0.55Ti0.45,MP-mp-1216634,Ti1Nb1,Nb-Ti,Nb50Ti50,C m m m,orthorhombic,2.84206986,2.84206986,4.639391,data/final/MP/cifs/Nb0.55Ti0.45-MP-mp-1216634-synth_doped.cif,data/source/MP/raw/cifs/mp-1216634.cif,mp-1216634,0.0,,2019-01-12 18:06:33.983000,6.618459515539193,,,{'GGA': {'task_id': 'mp-1674940'}},0.0348580583333326,5.3368817,520.0,-17.92708094,-8.96354047,{'tags': []},-17.92708094,-8.96354047,0.0348580583333326,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,2,5,mp-1216634,,TiNb,"{'functional': 'PBE', 'labels': ['Ti_pv', 'Nb_pv'], 'pot_type': 'paw'}","{'Ti': 1.0, 'Nb': 1.0}",GGA,mp-1216634,"['mp-1216634', 'mp-1435191', 'mp-1674940', 'mp-1792381', 'mp-1637901']",0.0224333,"{'Ti': 1.0, 'Nb': 1.0}",35.31935135033959,[],NM,False,65,0,"[0, 0]",0.0006351560587135,0.0224333,0,0.0224333,MP,data/source/MP/cleaned/cifs/MP-mp-1216634.cif,True,,data/final/MP/graphs/Nb0.55Ti0.45-MP-mp-1216634-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Ga0.05Nb1Se2,3,0.1210592686002522,4.0,False,Ga0.2Nb4Se8,Ga1Nb4Se8,5.6,Other,True,Ga1.639Nb32.787Se65.574,Ga-Nb-Se,3,Supercon,Ga0.05Nb1Se2,MP-mp-15208,Nb4Ga1Se8,Ga-Nb-Se,Ga7.692Nb30.769Se61.538,F -4 3 m,cubic,7.46376522,7.463765219999999,7.46376522,data/final/MP/cifs/Ga0.05Nb1Se2-MP-mp-15208-synth_doped.cif,data/source/MP/raw/cifs/mp-15208.cif,mp-15208,0.0,,2011-06-02 15:25:49,6.060402255958096,10.17188/1191056,"@misc{osti_1191056,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb4GaSe8 (SG:216) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191056"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1670334'}},0.005008535288459,4.0690443,520.0,-81.85331112,-6.296408547692308,"{'tags': ['Gallium tetraniobium octaselenide', 'Gallium octaselenotetraniobate(III/IV)']}",-81.85331112,-6.296408547692308,-1.0945156243269234,['bandstructure'],True,"[195266, 84196]",True,2021-05-12 10:58:49.477000,NM,13,10,mp-15208,,Nb4GaSe8,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Ga_d', 'Se'], 'pot_type': 'paw'}","{'Nb': 4.0, 'Ga': 1.0, 'Se': 8.0}",GGA,mp-15208,"['mp-992018', 'mp-993704', 'mp-15208', 'mp-1103794', 'mp-1115829', 'mp-1431316', 'mp-1670334', 'mp-1813574', 'mp-995016', 'mp-1597642']",0.1048708,"{'Nb': 4.0, 'Ga': 1.0, 'Se': 8.0}",294.0078400380523,[],NM,False,216,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0003566938894773,0.1048708,0,0.1048708,MP,data/source/MP/cleaned/cifs/MP-mp-15208.cif,True,,data/final/MP/graphs/Ga0.05Nb1Se2-MP-mp-15208-synth_doped.json,0,True,-43m,5,0,0,0,0,0,0,0,0,0,1,1.0,False
B2Ir3Tm1,1,0.0,1.0,True,B2Ir3Tm1,B2Ir3Tm1,0.0,Other,True,B33.333Ir50Tm16.667,B-Ir-Tm,3,Supercon,Tm1Ir3B2,MP-mp-1077393,Tm1B2Ir3,B-Ir-Tm,B33.333Ir50Tm16.667,P 6/m m m,hexagonal,3.137854,5.46035800056042,5.460359090000001,data/final/MP/cifs/B2Ir3Tm1-MP-mp-1077393.cif,data/source/MP/raw/cifs/mp-1077393.cif,mp-1077393,0.0,,2018-04-08 21:48:42,15.7237473954177,,,{'GGA': {'task_id': 'mp-1700554'}},0.0,7.75445701,520.0,-48.52570674,-8.08761779,"{'tags': ['Thulium iridium boride (1/3/2)', 'TmIr3B2', 'ErIr3B2']}",-48.52570674,-8.08761779,-0.6959660858333324,['bandstructure'],True,[614571],True,2021-05-12 10:58:14.654000,NM,6,5,mp-1077393,,TmB2Ir3,"{'functional': 'PBE', 'labels': ['Tm_3', 'B', 'Ir'], 'pot_type': 'paw'}","{'Tm': 1.0, 'B': 2.0, 'Ir': 3.0}",GGA,mp-1077393,"['mp-1077393', 'mp-1504580', 'mp-1700554', 'mp-1784383', 'mp-1590891']",0.0006721,"{'Tm': 1.0, 'B': 2.0, 'Ir': 3.0}",81.0225140575242,[],NM,False,191,0,"[0, 0, 0, 0, 0, 0]",8.295225195342911e-06,0.0006721,0,0.0006721,MP,data/source/MP/cleaned/cifs/MP-mp-1077393.cif,False,,data/final/MP/graphs/B2Ir3Tm1-MP-mp-1077393.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ir2Sr1,1,0.0,2.0,False,Ir4Sr2,Ir4Sr2,5.7,Other,True,Ir66.667Sr33.333,Ir-Sr,2,Supercon,Ir2Sr1,MP-mp-318,Sr2Ir4,Ir-Sr,Ir66.667Sr33.333,F d -3 m,cubic,5.4862605,5.4862605,5.4862605,data/final/MP/cifs/Ir2Sr1-MP-mp-318.cif,data/source/MP/raw/cifs/mp-318.cif,mp-318,0.0,,2011-05-13 05:45:43,13.426304696826278,10.17188/1205911,"@misc{osti_1205911,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SrIr2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1205911"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698721'}},0.0,5.81391497,520.0,-40.39738803,-6.732898005,{'tags': ['Iridium strontium (2/1)']},-40.39738803,-6.732898005,-0.277446573888889,"['xas', 'elasticity', 'bandstructure']",True,"[104564, 641065]",True,2021-05-12 10:56:20.740000,NM,6,8,mp-318,,SrIr2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ir'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Ir': 2.0}",GGA,mp-318,"['mp-941885', 'mp-318', 'mp-935065', 'mp-941745', 'mp-1416945', 'mp-1698721', 'mp-1804384', 'mp-1595606']",0.21736805,"{'Sr': 2.0, 'Ir': 4.0}",116.76542820156418,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",0.00372315767343,0.21736805,0,0.4347361,MP,data/source/MP/cleaned/cifs/MP-mp-318.cif,False,,data/final/MP/graphs/Ir2Sr1-MP-mp-318.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Bi1La4Pb2,1,0.0,2.0,False,Bi2La8Pb4,Bi2La8Pb4,2.5,Other,True,Bi14.286La57.143Pb28.571,Bi-La-Pb,3,Supercon,Bi1La4Pb2,MP-mp-1223139,La8Bi2Pb4,Bi-La-Pb,Bi14.286La57.143Pb28.571,I -4 2 d,tetragonal,8.573804279586883,8.57380428,8.57380428,data/final/MP/cifs/Bi1La4Pb2-MP-mp-1223139.cif,data/source/MP/raw/cifs/mp-1223139.cif,mp-1223139,0.0,,2019-01-12 23:34:31.541000,8.070500794315555,,,,0.0034051190476178,7.47721775,520.0,-72.23189952,-5.159421394285714,{'tags': []},-72.23189952,-5.159421394285714,-0.7223704128571425,[],False,[],True,2021-05-12 11:00:52.054000,NM,14,3,mp-1223139,,La4BiPb2,"{'functional': 'PBE', 'labels': ['La', 'Bi', 'Pb_d'], 'pot_type': 'paw'}","{'La': 4.0, 'Bi': 1.0, 'Pb': 2.0}",GGA,mp-1223139,"['mp-1223139', 'mp-1365451', 'mp-1823633']",0.8235326,"{'La': 8.0, 'Bi': 2.0, 'Pb': 4.0}",485.16923433783217,[],NM,False,122,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0033948261419501,0.8235326,0,1.6470652,MP,data/source/MP/cleaned/cifs/MP-mp-1223139.cif,False,,data/final/MP/graphs/Bi1La4Pb2-MP-mp-1223139.json,0,True,-42m,0,0,0,0,6,0,0,0,0,1,0,1.0,False
C1Fe0.1Mg1Ni2.9,2,0.04,1.0,True,C1Fe0.1Mg1Ni2.9,C1Mg1Ni3,8.58,Other,True,C20Fe2Mg20Ni58,C-Fe-Mg-Ni,4,Supercon,Mg1C1Ni2.9Fe0.1,MP-mp-10700,Mg1Ni3C1,C-Mg-Ni,C20Mg20Ni60,P m -3 m,cubic,3.810209,3.810209,3.810209,data/final/MP/cifs/C1Fe0.1Mg1Ni2.9-MP-mp-10700-synth_doped.cif,data/source/MP/raw/cifs/mp-10700.cif,mp-10700,0.0,,2011-05-28 10:04:44,6.376007671789427,10.17188/1187303,"@misc{osti_1187303,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MgNi3C (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187303"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1678621'}},0.0,6.64260176,520.0,-28.85099542,-5.770199084,{'tags': ['Magnesium nickel carbide (1/3/1)']},-28.85099542,-5.770199084,-0.1367049259999994,"['xas', 'elasticity', 'bandstructure']",True,[77152],True,2021-05-12 10:56:10.715000,NM,5,8,mp-10700,,MgNi3C,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Ni_pv', 'C'], 'pot_type': 'paw'}","{'Mg': 1.0, 'Ni': 3.0, 'C': 1.0}",GGA,mp-10700,"['mp-927245', 'mp-927653', 'mp-911184', 'mp-10700', 'mp-1438083', 'mp-1678621', 'mp-1791467', 'mp-1591421']",0.0387875,"{'Mg': 1.0, 'Ni': 3.0, 'C': 1.0}",55.31544309398296,[],NM,False,221,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",0.0007012056277683,0.0387875,0,0.0387875,MP,data/source/MP/cleaned/cifs/MP-mp-10700.cif,True,,data/final/MP/graphs/C1Fe0.1Mg1Ni2.9-MP-mp-10700-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Fe3Lu1.86Si5Y0.14,2,0.0279999999999999,4.0,False,Fe12Lu7.44Si20Y0.56,Fe12Lu8Si20,3.51,Other,True,Fe30Lu18.6Si50Y1.4,Fe-Lu-Si-Y,4,Supercon,Lu1.86Y0.14Fe3Si5,MP-mp-541557,Lu8Fe12Si20,Fe-Lu-Si,Fe30Lu20Si50,P 4/m n c,tetragonal,5.385917,10.270814,10.270814,data/final/MP/cifs/Fe3Lu1.86Si5Y0.14-MP-mp-541557-synth_doped.cif,data/source/MP/raw/cifs/mp-541557.cif,mp-541557,0.0,,2014-03-04 18:23:36,7.69125622397548,10.17188/1265154,"@misc{osti_1265154,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Lu2Fe3Si5 (SG:128) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1265154"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1746411'}},0.0,7.47471245,520.0,-273.951322,-6.84878305,{'tags': ['Lutetium iron silicide (2/3/5)']},-273.951322,-6.84878305,-0.6554334009999998,"['xas', 'bandstructure']",True,"[84198, 247832, 632470]",True,2021-05-12 10:57:10.838000,NM,40,10,mp-541557,,Lu2Fe3Si5,"{'functional': 'PBE', 'labels': ['Lu_3', 'Fe_pv', 'Si'], 'pot_type': 'paw'}","{'Lu': 2.0, 'Fe': 3.0, 'Si': 5.0}",GGA,mp-541557,"['mp-939885', 'mp-916724', 'mp-937397', 'mp-541557', 'mp-1170743', 'mp-1200451', 'mp-1255960', 'mp-1383694', 'mp-1746411', 'mp-1892871']",0.000409375,"{'Lu': 8.0, 'Fe': 12.0, 'Si': 20.0}",568.1583388804236,[],NM,False,90,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.8821190994516645e-06,0.000409375,0,0.0016375,MP,data/source/MP/cleaned/cifs/MP-mp-541557.cif,True,,data/final/MP/graphs/Fe3Lu1.86Si5Y0.14-MP-mp-541557-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ba2Ca0.05Cu4Er0.95O8,2,0.0066666666666666,1.0,True,Ba2Ca0.05Cu4Er0.95O8,Ba2Cu4Er1O8,83.2,Cuprate,True,Ba13.333Ca0.333Cu26.667Er6.333O53.333333333333336,Ba-Ca-Cu-Er-O,5,Supercon,Er0.95Ca0.05Ba2Cu4O8,MP-mp-6583,Ba2Er1Cu4O8,Ba-Cu-Er-O,Ba13.333Cu26.667Er6.667O53.333333333333336,C m m m,orthorhombic,3.873464,3.891204000753849,13.86912846,data/final/MP/cifs/Ba2Ca0.05Cu4Er0.95O8-MP-mp-6583-synth_doped.cif,data/source/MP/raw/cifs/mp-6583.cif,mp-6583,0.0,,2011-05-16 03:37:49,6.611623585695933,10.17188/1281373,"@misc{osti_1281373,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2Er(CuO2)4 (SG:65) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281373"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697070'}},0.0,3.30541643,520.0,-89.84545691,-5.989697127333333,"{'tags': ['Erbium barium copper oxide (1/2/4/8)', 'Erbium dibarium tricopper copper(III) oxide', 'Erbium dibarium tetracopper octaoxide']}",-89.84545691,-5.989697127333333,-2.063685448,"['xas', 'bandstructure']",True,"[67642, 67641, 78623, 74127, 75687, 67640]",True,2021-05-12 10:57:32.679000,NM,15,8,mp-6583,oxide,Ba2Er(CuO2)4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Er_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Er': 1.0, 'Cu': 4.0, 'O': 8.0}",GGA,mp-6583,"['mp-1000697', 'mp-1007163', 'mp-6583', 'mp-1432454', 'mp-1697070', 'mp-1787406', 'mp-1011910', 'mp-1601241']",0.0486496,"{'Ba': 2.0, 'Er': 1.0, 'Cu': 4.0, 'O': 8.0}",206.9744707700718,[],NM,False,65,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0002350512109971,0.0486496,0,0.0486496,MP,data/source/MP/cleaned/cifs/MP-mp-6583.cif,True,,data/final/MP/graphs/Ba2Ca0.05Cu4Er0.95O8-MP-mp-6583-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Cu0.2Fe0.8La1.05Sr0.95O4,3,0.0714285714285714,1.0,True,Cu0.2Fe0.8La1.05Sr0.95O4,Fe1La1Sr1O4,0.0,Cuprate,True,Cu2.857Fe11.429La15Sr13.571O57.142857142857146,Cu-Fe-La-Sr-O,5,Supercon,La1.05Sr0.95Cu0.2Fe0.8O4,MP-mp-1218154,Sr1La1Fe1O4,Fe-La-Sr-O,Fe14.286La14.286Sr14.286O57.142857142857146,I 4 m m,tetragonal,3.937158001734294,3.937158001734294,6.88960943,data/final/MP/cifs/Cu0.2Fe0.8La1.05Sr0.95O4-MP-mp-1218154-synth_doped.cif,data/source/MP/raw/cifs/mp-1218154.cif,mp-1218154,0.8383000000000003,,2019-01-12 19:22:12.501000,5.887594614670473,,,{'GGA+U': {'task_id': 'mp-1759367'}},0.016510487916669,5.76152369,520.0,-50.2033373,-7.1719053285714285,{'tags': []},-50.2033373,-7.1719053285714285,-2.9028548959523803,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,FM,7,5,mp-1218154,oxide,SrLaFeO4,"{'functional': 'PBE', 'labels': ['Sr_sv', 'La', 'Fe_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 1.0, 'La': 1.0, 'Fe': 1.0, 'O': 4.0}",GGA+U,mp-1218154,"['mp-1218154', 'mp-1406782', 'mp-1759367', 'mp-1796050', 'mp-1625101']",5.0028359,"{'Sr': 1.0, 'La': 1.0, 'Fe': 1.0, 'O': 4.0}",97.68976115045156,[],FM,True,107,1,"[0.0, 0.0, 4.4, 0.0, 0.0, 0.0, 0.0]",0.0512114661872819,5.0028359,1,5.0028359,MP,data/source/MP/cleaned/cifs/MP-mp-1218154.cif,True,,data/final/MP/graphs/Cu0.2Fe0.8La1.05Sr0.95O4-MP-mp-1218154-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,0,0,1,0,1.0,False
Nb3Sb0.9Sn0.1,2,0.0499999999999999,2.0,False,Nb6Sb1.8Sn0.2,Nb6Sb2,0.0,Other,True,Nb75Sb22.5Sn2.5,Nb-Sb-Sn,3,Supercon,Nb3Sn0.1Sb0.9,MP-mp-2053,Nb6Sb2,Nb-Sb,Nb75Sb25,P m -3 n,cubic,5.311983,5.311983,5.311983,data/final/MP/cifs/Nb3Sb0.9Sn0.1-MP-mp-2053-synth_doped.cif,data/source/MP/raw/cifs/mp-2053.cif,mp-2053,0.0,,2011-05-13 19:35:55,8.87337760679475,10.17188/1195662,"@misc{osti_1195662,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Sb (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195662"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696683'}},0.0,7.01392698,520.0,-71.08518378,-8.8856479725,"{'tags': ['Niobium antimony (3/1)', 'Niobium antimonide (3/1)']}",-71.08518378,-8.8856479725,-0.3254188824999993,"['xas', 'elasticity', 'bandstructure']",True,"[645347, 76572, 645349, 190178, 645357, 645352]",True,2021-05-12 10:56:14.760000,NM,8,8,mp-2053,,Nb3Sb,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Sb'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Sb': 1.0}",GGA,mp-2053,"['mp-910444', 'mp-926252', 'mp-926772', 'mp-2053', 'mp-1413395', 'mp-1696683', 'mp-1877686', 'mp-1592488']",0.00022775,"{'Nb': 6.0, 'Sb': 2.0}",149.88909224806147,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",3.0389135938335167e-06,0.00022775,0,0.0004555,MP,data/source/MP/cleaned/cifs/MP-mp-2053.cif,True,,data/final/MP/graphs/Nb3Sb0.9Sn0.1-MP-mp-2053-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
C2Mo1Re1,1,0.0,1.0,True,C2Mo1Re1,C2Mo1Re1,3.8,Other,True,C50Mo25Re25,C-Mo-Re,3,Supercon,C2Mo1Re1,MP-mp-1219523,Re1Mo1C2,C-Mo-Re,C50Mo25Re25,R -3 m,trigonal,3.1027160691942,3.1027160691942,5.2973713,data/final/MP/cifs/C2Mo1Re1-MP-mp-1219523.cif,data/source/MP/raw/cifs/mp-1219523.cif,mp-1219523,0.0,,2019-01-12 20:30:53.422000,12.232174486659146,,,{'GGA': {'task_id': 'mp-1764906'}},0.620774855625001,9.69158732,520.0,-39.47501932,-9.86875483,{'tags': []},-39.47501932,-9.86875483,0.5671780737500001,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,4,5,mp-1219523,,ReMoC2,"{'functional': 'PBE', 'labels': ['Re_pv', 'Mo_pv', 'C'], 'pot_type': 'paw'}","{'Re': 1.0, 'Mo': 1.0, 'C': 2.0}",GGA,mp-1219523,"['mp-1219523', 'mp-1433429', 'mp-1764906', 'mp-1795352', 'mp-1610418']",0.0021707,"{'Re': 1.0, 'Mo': 1.0, 'C': 2.0}",41.562895437184935,[],NM,False,166,0,"[0.0, -0.0, 0.0, 0.0]",5.2226871520070925e-05,0.0021707,0,0.0021707,MP,data/source/MP/cleaned/cifs/MP-mp-1219523.cif,False,,data/final/MP/graphs/C2Mo1Re1-MP-mp-1219523.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
B1Mo2,1,0.0,2.0,False,B2Mo4,B2Mo4,4.1125,Other,True,B33.333Mo66.667,B-Mo,2,Supercon,B1Mo2,MP-mp-2501,B2Mo4,B-Mo,B33.333Mo66.667,I 4/m c m,tetragonal,4.601682849645549,4.60168285,4.60168285,data/final/MP/cifs/B1Mo2-MP-mp-2501.cif,data/source/MP/raw/cifs/mp-2501.cif,mp-2501,0.0,,2011-05-13 05:10:46,9.106683076768183,10.17188/1200409,"@misc{osti_1200409,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BMo2 (SG:140) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200409"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-924873'}},0.0182220350000008,8.74090013,520.0,-58.64037758,-9.773396263333334,"{'tags': ['Molybdenum boride (2/1)', 'Molyybdenum boride (2/1)', 'Molybdenum boride (2/1) - gamma']}",-58.64037758,-9.773396263333334,-0.3165036530555554,"['xas', 'elasticity', 'bandstructure']",True,"[614804, 24278, 614814, 42527, 191906]",True,2021-05-12 10:56:16.728000,NM,6,10,mp-2501,,BMo2,"{'functional': 'PBE', 'labels': ['B', 'Mo_pv'], 'pot_type': 'paw'}","{'B': 1.0, 'Mo': 2.0}",GGA,mp-2501,"['mp-924873', 'mp-925454', 'mp-909851', 'mp-2501', 'mp-1077208', 'mp-1077061', 'mp-1077580', 'mp-1437571', 'mp-1800752', 'mp-1588090']",5.49e-05,"{'B': 2.0, 'Mo': 4.0}",73.91853238131269,[],NM,False,69,0,"[0.0, 0.0, 0.0, 0.0, -0.0, -0.0]",1.4854191021216554e-06,5.49e-05,0,0.0001098,MP,data/source/MP/cleaned/cifs/MP-mp-2501.cif,False,,data/final/MP/graphs/B1Mo2-MP-mp-2501.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ge1Pd2,1,0.0,3.0,False,Ge3Pd6,Ge3Pd6,0.0,Other,True,Ge33.333Pd66.667,Ge-Pd,2,Supercon,Ge1Pd2,MP-mp-423,Ge3Pd6,Ge-Pd,Ge33.333Pd66.667,P -6 2 m,hexagonal,3.526005,6.761035997324772,6.76103519,data/final/MP/cifs/Ge1Pd2-MP-mp-423.cif,data/source/MP/raw/cifs/mp-423.cif,mp-423,0.0,,2011-05-14 16:44:02,10.18840164018511,10.17188/1207984,"@misc{osti_1207984,
    author = ""Persson, Kristin"",
    title = ""Materials Data on GePd2 (SG:189) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207984"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1699754'}},0.0,5.20751316,520.0,-49.79758816,-5.533065351111111,"{'tags': ['Palladium germanide', 'Dipalladium germanide', 'Palladium germanide (2/1)']}",-49.79758816,-5.533065351111111,-0.538801526111111,"['xas', 'elasticity', 'bandstructure']",True,"[52052, 76140, 53879, 637541]",True,2021-05-12 10:56:20.740000,NM,9,8,mp-423,,GePd2,"{'functional': 'PBE', 'labels': ['Ge_d', 'Pd'], 'pot_type': 'paw'}","{'Ge': 1.0, 'Pd': 2.0}",GGA,mp-423,"['mp-926238', 'mp-926759', 'mp-910414', 'mp-423', 'mp-1424854', 'mp-1699754', 'mp-1779452', 'mp-1596915']",2.693333333333333e-05,"{'Ge': 3.0, 'Pd': 6.0}",139.58539606346588,[],NM,False,189,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0]",5.788571174255387e-07,2.693333333333333e-05,0,8.08e-05,MP,data/source/MP/cleaned/cifs/MP-mp-423.cif,False,,data/final/MP/graphs/Ge1Pd2-MP-mp-423.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
B2Mg0.1Nb0.9,3,0.0666666666666666,1.0,True,B2Mg0.1Nb0.9,B2Nb1,4.5,Other,True,B66.667Mg3.333Nb30,B-Mg-Nb,3,Supercon,Nb0.9Mg0.1B2,MP-mp-450,Nb1B2,B-Nb,B66.667Nb33.333,P 6/m m m,hexagonal,3.1120839952382067,3.1120833,3.337463,data/final/MP/cifs/B2Mg0.1Nb0.9-MP-mp-450-synth_doped.cif,data/source/MP/raw/cifs/mp-450.cif,mp-450,0.0,,2011-05-12 17:50:32,6.793798027120384,10.17188/1208214,"@misc{osti_1208214,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NbB2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208214"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668420'}},0.0,8.5150746,520.0,-25.54163782,-8.513879273333332,{'tags': ['Niobium boride (1/2)']},-25.54163782,-8.513879273333332,-0.6938497461111103,"['xas', 'elasticity', 'bandstructure']",True,"[614908, 614900, 614887, 30421, 30328, 614889, 614902, 614904, 191901, 614894, 614884, 614892, 44457, 656214, 108068]",True,2021-05-12 10:56:20.740000,NM,3,18,mp-450,,NbB2,"{'functional': 'PBE', 'labels': ['Nb_pv', 'B'], 'pot_type': 'paw'}","{'Nb': 1.0, 'B': 2.0}",GGA,mp-450,"['mp-1000549', 'mp-1007025', 'mp-672219', 'mp-450', 'mp-1062058', 'mp-1062041', 'mp-1062083', 'mp-1062744', 'mp-1062870', 'mp-1062829', 'mp-1440923', 'mp-1668420', 'mp-1792772', 'mp-1011762', 'mp-1595532', 'mp-1592705', 'mp-1062075', 'mp-1062849']",0.0024194,"{'Nb': 1.0, 'B': 2.0}",27.99300898631796,[],NM,False,191,0,"[0, 0, 0]",8.642872229928986e-05,0.0024194,0,0.0024194,MP,data/source/MP/cleaned/cifs/MP-mp-450.cif,True,,data/final/MP/graphs/B2Mg0.1Nb0.9-MP-mp-450-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Al1.85La1Si0.15,3,0.0999999999999999,2.0,False,Al3.7La2Si0.3,Al4La2,0.0,Other,True,Al61.667La33.333Si5,Al-La-Si,3,Supercon,La1Al1.85Si0.15,MP-mp-2694,La2Al4,Al-La,Al66.667La33.333,F d -3 m,cubic,5.75810346,5.75810346,5.75810346,data/final/MP/cifs/Al1.85La1Si0.15-MP-mp-2694-synth_doped.cif,data/source/MP/raw/cifs/mp-2694.cif,mp-2694,0.0,,2011-05-12 21:07:48,4.744791242841679,10.17188/1201263,"@misc{osti_1201263,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaAl2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201263"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686658'}},0.0,8.10972418,520.0,-27.8605497,-4.64342495,{'tags': ['Aluminium lanthanum (2/1)']},-27.8605497,-4.64342495,-0.5010386950000001,"['xas', 'elasticity', 'bandstructure']",True,"[608275, 608277, 608265, 608290, 608288, 57933, 608270, 608269, 603920, 608272, 608286, 608273, 608289, 604450, 608266]",True,2021-05-12 10:56:18.721000,NM,6,10,mp-2694,,LaAl2,"{'functional': 'PBE', 'labels': ['La', 'Al'], 'pot_type': 'paw'}","{'La': 1.0, 'Al': 2.0}",GGA,mp-2694,"['mp-940230', 'mp-925817', 'mp-940644', 'mp-2694', 'mp-1258643', 'mp-1440554', 'mp-1686658', 'mp-1787219', 'mp-1596037', 'mp-1594760']",0.0008869,"{'La': 2.0, 'Al': 4.0}",134.99677475891534,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",1.3139573172527638e-05,0.0008869,0,0.0017738,MP,data/source/MP/cleaned/cifs/MP-mp-2694.cif,True,,data/final/MP/graphs/Al1.85La1Si0.15-MP-mp-2694-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ga6La1,1,0.0,2.0,False,Ga12La2,Ga12La2,0.0,Other,True,Ga85.714La14.286,Ga-La,2,Supercon,Ga6La1,MP-mp-644739,La2Ga12,Ga-La,Ga85.714La14.286,P 4/n b m,tetragonal,6.1096,6.1096,7.764452,data/final/MP/cifs/Ga6La1-MP-mp-644739.cif,data/source/MP/raw/cifs/mp-644739.cif,mp-644739,0.0,,2013-06-29 22:00:14,6.385394243596734,10.17188/1280472,"@misc{osti_1280472,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaGa6 (SG:125) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1280472"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697506'}},0.0,4.73248617,520.0,-51.32354011,-3.665967150714286,"{'tags': ['Lanthanum gallide (1/6)', 'Gallium lanthanum (6/1)']}",-51.32354011,-3.665967150714286,-0.3653124021428568,"['xas', 'bandstructure']",True,"[103768, 634478, 634485, 634486]",True,2021-05-12 10:57:32.679000,NM,14,13,mp-644739,,LaGa6,"{'functional': 'PBE', 'labels': ['La', 'Ga_d'], 'pot_type': 'paw'}","{'La': 1.0, 'Ga': 6.0}",GGA,mp-644739,"['mp-644739', 'mp-992676', 'mp-992460', 'mp-1049107', 'mp-1049099', 'mp-1104617', 'mp-1104629', 'mp-1432247', 'mp-1697506', 'mp-1866202', 'mp-994124', 'mp-1598984', 'mp-1049119']",0.00149235,"{'La': 2.0, 'Ga': 12.0}",289.8253471101364,[],NM,False,125,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.0298271113139688e-05,0.00149235,0,0.0029847,MP,data/source/MP/cleaned/cifs/MP-mp-644739.cif,False,,data/final/MP/graphs/Ga6La1-MP-mp-644739.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Bi1F0.6La1S2O0.4,2,0.0399999999999999,2.0,False,Bi2F1.2La2S4O0.8,Bi2F1La2S4O1,9.5,Oxide,True,Bi20F12La20S40O8,Bi-F-La-S-O,5,Supercon,La1Bi1S2F0.6O0.4,MP-mp-1223274,La2Bi2S4O1F1,Bi-F-La-S-O,Bi20F10La20S40O10,P -4 m 2,tetragonal,4.109577,4.109577,13.150136,data/final/MP/cifs/Bi1F0.6La1S2O0.4-MP-mp-1223274-synth_doped.cif,data/source/MP/raw/cifs/mp-1223274.cif,mp-1223274,0.0,,2019-01-12 23:41:28.903000,6.422922901673022,,,{'GGA': {'task_id': 'mp-1744170'}},0.0471324534999961,7.2695309,520.0,-59.26664004,-5.926664004,{'tags': []},-59.26664004,-5.926664004,-2.137031777,[],False,[],True,2021-05-12 11:00:52.054000,NM,10,4,mp-1223274,oxide,La2Bi2S4OF,"{'functional': 'PBE', 'labels': ['La', 'Bi', 'S', 'O', 'F'], 'pot_type': 'paw'}","{'La': 2.0, 'Bi': 2.0, 'S': 4.0, 'O': 1.0, 'F': 1.0}",GGA,mp-1223274,"['mp-1223274', 'mp-1388342', 'mp-1744170', 'mp-1861685']",0.0001151,"{'La': 2.0, 'Bi': 2.0, 'S': 4.0, 'O': 1.0, 'F': 1.0}",222.0876908666605,[],NM,False,115,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.182637522630872e-07,0.0001151,0,0.0001151,MP,data/source/MP/cleaned/cifs/MP-mp-1223274.cif,True,,data/final/MP/graphs/Bi1F0.6La1S2O0.4-MP-mp-1223274-synth_doped.json,0,True,-42m,0,0,0,0,6,0,0,1,0,0,0,1.0,False
Bi1K1,1,0.0,16.0,False,Bi16K16,Bi16K16,3.6,Other,True,Bi50K50,Bi-K,2,Supercon,Bi1K1,MP-mp-31104,K16Bi16,Bi-K,Bi50K50,P 1 21/c 1,monoclinic,7.415831,13.7215,14.56611646,data/final/MP/cifs/Bi1K1-MP-mp-31104.cif,data/source/MP/raw/cifs/mp-31104.cif,mp-31104,0.4072,,2014-02-20 00:47:09,4.844473357770943,10.17188/1205429,"@misc{osti_1205429,
    author = ""Persson, Kristin"",
    title = ""Materials Data on KBi (SG:14) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1205429"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-929695'}},0.0,1.97882355,520.0,-91.20291582,-2.850091119375,{'tags': ['Potassium bismuth (1/1)']},-91.20291582,-2.850091119375,-0.349874490875,"['xas', 'bandstructure']",True,[55065],True,2021-05-12 10:57:04.957000,NM,32,5,mp-31104,,KBi,"{'functional': 'PBE', 'labels': ['K_sv', 'Bi'], 'pot_type': 'paw'}","{'K': 1.0, 'Bi': 1.0}",GGA,mp-31104,"['mp-913107', 'mp-929695', 'mp-31104', 'mp-1347161', 'mp-930167']",6.475e-06,"{'K': 16.0, 'Bi': 16.0}",1360.542102370894,[],NM,False,14,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",7.61461183887405e-08,6.475e-06,0,0.0001036,MP,data/source/MP/cleaned/cifs/MP-mp-31104.cif,False,,data/final/MP/graphs/Bi1K1-MP-mp-31104.json,0,True,2/m,0,0,3,0,0,0,0,1,0,0,0,1.0,False
La7Ru3,1,0.0,4.0,False,La28Ru12,La28Ru12,1.835,Other,True,La70Ru30,La-Ru,2,Supercon,La7Ru3,MP-mp-1202486,La28Ru12,La-Ru,La70Ru30,P n m a,orthorhombic,6.759538,7.41355,23.776226,data/final/MP/cifs/La7Ru3-MP-mp-1202486.cif,data/source/MP/raw/cifs/mp-1202486.cif,mp-1202486,0.0445999999999999,,2019-01-12 06:31:02.324000,7.110822511731112,,,,0.0,7.96139759,520.0,-260.73310484,-6.518327621,"{'tags': ['Lanthanum ruthenium (7/3)', 'La7Ru3', 'Sr7Pt3']}",-260.73310484,-6.518327621,-0.2808057510000005,[],False,[641768],True,2021-05-12 11:00:12.709000,NM,40,3,mp-1202486,,La7Ru3,"{'functional': 'PBE', 'labels': ['La', 'Ru_pv'], 'pot_type': 'paw'}","{'La': 7.0, 'Ru': 3.0}",GGA,mp-1202486,"['mp-1202486', 'mp-1376368', 'mp-1848304']",0.001315825,"{'La': 28.0, 'Ru': 12.0}",1191.4783491701469,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.417453329022586e-06,0.001315825,0,0.0052633,MP,data/source/MP/cleaned/cifs/MP-mp-1202486.cif,False,,data/final/MP/graphs/La7Ru3-MP-mp-1202486.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ir0.02Nb3Rh0.98,2,0.01,2.0,False,Ir0.04Nb6Rh1.96,Nb6Rh2,2.43,Other,True,Ir0.5Nb75Rh24.5,Ir-Nb-Rh,3,Supercon,Ir0.02Nb3Rh0.98,MP-mp-1545,Nb6Rh2,Nb-Rh,Nb75Rh25,P m -3 n,cubic,5.186072,5.186072,5.186072,data/final/MP/cifs/Ir0.02Nb3Rh0.98-MP-mp-1545-synth_doped.cif,data/source/MP/raw/cifs/mp-1545.cif,mp-1545,0.0,,2011-05-14 11:20:25,9.086567873234834,10.17188/1191190,"@misc{osti_1191190,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Rh (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191190"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700041'}},0.0,5.48706495,520.0,-77.37430008,-9.67178751,{'tags': ['Niobium rhodium (3/1)']},-77.37430008,-9.67178751,-0.2547317625000005,"['xas', 'elasticity', 'bandstructure']",True,"[105216, 645269]",True,2021-05-12 10:56:12.755000,NM,8,8,mp-1545,,Nb3Rh,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Rh_pv'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Rh': 1.0}",GGA,mp-1545,"['mp-942004', 'mp-943019', 'mp-935201', 'mp-1545', 'mp-1433570', 'mp-1700041', 'mp-1786474', 'mp-1591392']",0.00021655,"{'Nb': 6.0, 'Rh': 2.0}",139.48118416938905,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",3.1050783127424102e-06,0.00021655,0,0.0004331,MP,data/source/MP/cleaned/cifs/MP-mp-1545.cif,True,,data/final/MP/graphs/Ir0.02Nb3Rh0.98-MP-mp-1545-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
As2Co0.2Fe1.8Sr1,3,0.0799999999999999,1.0,True,As2Co0.2Fe1.8Sr1,As2Fe2Sr1,18.365,Ferrite,True,As40Co4Fe36Sr20,As-Co-Fe-Sr,4,Supercon,Sr1Fe1.8Co0.2As2,MP-mp-4488,Sr1Fe2As2,As-Fe-Sr,As40Fe40Sr20,I 4/m m m,tetragonal,3.9729799997357778,3.9729799997357778,6.45523327,data/final/MP/cifs/As2Co0.2Fe1.8Sr1-MP-mp-4488-synth_doped.cif,data/source/MP/raw/cifs/mp-4488.cif,mp-4488,0.0,,2011-05-13 03:37:13,6.319998834487784,10.17188/1208187,"@misc{osti_1208187,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208187"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672865'}},0.0,5.13397273,520.0,-30.61898897,-6.123797794,"{'tags': ['Strontium diiron arsenide - HT', 'Strontium diiron arsenide', 'Strontium diiron diarsenide', 'Iron strontium arsenide (2/1/2)', 'Strontium diiron arsenide - LT']}",-30.61898897,-6.123797794,-0.5342483613333335,"['xas', 'elasticity', 'bandstructure']",True,"[182330, 181993, 610527, 163209, 163208, 163869]",True,2021-05-12 10:56:20.740000,NM,5,8,mp-4488,,Sr(FeAs)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-4488,"['mp-906356', 'mp-920135', 'mp-919110', 'mp-4488', 'mp-1439153', 'mp-1672865', 'mp-1873948', 'mp-1592272']",0.0029206,"{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",91.7377588211838,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",3.183640016422098e-05,0.0029206,0,0.0029206,MP,data/source/MP/cleaned/cifs/MP-mp-4488.cif,True,,data/final/MP/graphs/As2Co0.2Fe1.8Sr1-MP-mp-4488-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
La1Ni2Si2,1,0.0,1.0,True,La1Ni2Si2,La1Ni2Si2,0.0,Other,True,La20Ni40Si40,La-Ni-Si,3,Supercon,La1Ni2Si2,MP-mp-5898,La1Si2Ni2,La-Ni-Si,La20Ni40Si40,I 4/m m m,tetragonal,4.112303997164643,4.112303997164643,5.6404441,data/final/MP/cifs/La1Ni2Si2-MP-mp-5898.cif,data/source/MP/raw/cifs/mp-5898.cif,mp-5898,0.0,,2011-05-13 04:56:12,6.348186963630448,10.17188/1277166,"@misc{osti_1277166,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La(SiNi)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277166"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700452'}},0.0,8.79269469,520.0,-31.25697855,-6.25139571,{'tags': ['Lanthanum nickel silicide (1/2/2)']},-31.25697855,-6.25139571,-0.7536140089999996,"['xas', 'bandstructure']",True,"[641572, 86451]",True,2021-05-12 10:57:26.891000,NM,5,9,mp-5898,,La(SiNi)2,"{'functional': 'PBE', 'labels': ['La', 'Si', 'Ni_pv'], 'pot_type': 'paw'}","{'La': 1.0, 'Si': 2.0, 'Ni': 2.0}",GGA,mp-5898,"['mp-5898', 'mp-1007594', 'mp-1001259', 'mp-1144363', 'mp-1438233', 'mp-1700452', 'mp-1926364', 'mp-1012339', 'mp-1587209']",0.0065492,"{'La': 1.0, 'Si': 2.0, 'Ni': 2.0}",81.73317353209389,[],NM,False,139,0,"[0.0, 0.0, 0.0, -0.0, -0.0]",8.012903105283618e-05,0.0065492,0,0.0065492,MP,data/source/MP/cleaned/cifs/MP-mp-5898.cif,False,,data/final/MP/graphs/La1Ni2Si2-MP-mp-5898.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
La3Rh4Sn13,1,0.0,8.0,False,La24Rh32Sn104,La24Rh32Sn104,3.1,Other,True,La15Rh20Sn65,La-Rh-Sn,3,Supercon,La3Rh4Sn13,MP-mp-640274,La24Sn104Rh32,La-Rh-Sn,La15Rh20Sn65,I 41 3 2,cubic,17.102755150677094,17.10275515,17.10275508,data/final/MP/cifs/La3Rh4Sn13-MP-mp-640274.cif,data/source/MP/raw/cifs/mp-640274.cif,mp-640274,0.0,,2013-06-25 03:01:39,8.180849410547648,10.17188/1279915,"@misc{osti_1279915,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La3Sn13Rh4 (SG:214) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1279915"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",,0.0,8.73343356,520.0,-868.90176866,-5.430636054125,{'tags': ['Lanthanum rhodium stannide (3/4/13)']},-868.90176866,-5.430636054125,-0.6111517086249997,['xas'],False,[54367],True,2021-05-12 10:57:30.779000,NM,160,1,mp-640274,,La3Sn13Rh4,"{'functional': 'PBE', 'labels': ['La', 'Sn_d', 'Rh_pv'], 'pot_type': 'paw'}","{'La': 3.0, 'Sn': 13.0, 'Rh': 4.0}",GGA,mp-640274,['mp-640274'],0.000566775,"{'La': 24.0, 'Sn': 104.0, 'Rh': 32.0}",3851.0250427952274,[],NM,False,214,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.1774008087750312e-06,0.000566775,0,0.0045342,MP,data/source/MP/cleaned/cifs/MP-mp-640274.cif,False,,data/final/MP/graphs/La3Rh4Sn13-MP-mp-640274.json,0,True,432,4,0,0,0,0,0,0,0,0,1,0,1.0,False
Bi1Rh1,1,0.0,2.0,False,Bi2Rh2,Bi2Rh2,2.04,Other,True,Bi50Rh50,Bi-Rh,2,Supercon,Bi1Rh1,MP-mp-1064554,Bi2Rh2,Bi-Rh,Bi50Rh50,P 63/m m c,hexagonal,4.176545998324092,4.17654692,5.750255,data/final/MP/cifs/Bi1Rh1-MP-mp-1064554.cif,data/source/MP/raw/cifs/mp-1064554.cif,mp-1064554,0.0,,2018-03-21 16:18:32,11.924012773164952,,,{'GGA': {'task_id': 'mp-1065707'}},0.0,6.89316399,520.0,-23.17427763,-5.7935694075,{'tags': ['Bismuth rhodium (1/1)']},-23.17427763,-5.7935694075,-0.1663983174999996,[],False,"[109109, 617008, 58852, 185668]",True,2021-05-12 10:59:18.323000,NM,4,15,mp-1064554,,BiRh,"{'functional': 'PBE', 'labels': ['Bi', 'Rh_pv'], 'pot_type': 'paw'}","{'Bi': 1.0, 'Rh': 1.0}",GGA,mp-1064554,"['mp-1064578', 'mp-1064554', 'mp-1064627', 'mp-1065707', 'mp-1065625', 'mp-1065664', 'mp-1067027', 'mp-1067070', 'mp-1067115', 'mp-1439842', 'mp-1782017', 'mp-1587304', 'mp-1064625', 'mp-1067114', 'mp-1065704']",6e-07,"{'Bi': 2.0, 'Rh': 2.0}",86.86651568123683,[],NM,False,194,0,"[0, 0, 0, 0]",1.3814298761602109e-08,6e-07,0,1.2e-06,MP,data/source/MP/cleaned/cifs/MP-mp-1064554.cif,False,,data/final/MP/graphs/Bi1Rh1-MP-mp-1064554.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As2Ba0.5Fe1.7K0.5Ni0.3,3,0.12,2.0,False,As4Ba1Fe3.4K1Ni0.6,As4Ba1Fe4K1,5.1,Ferrite,True,As40Ba10Fe34K10Ni6,As-Ba-Fe-K-Ni,5,Supercon,Ba0.5K0.5Fe1.7Ni0.3As2,MP-mp-1223517,K1Ba1Fe4As4,As-Ba-Fe-K,As40Ba10Fe40K10,C m m m,orthorhombic,5.479027,5.480024002658328,7.13170472,data/final/MP/cifs/As2Ba0.5Fe1.7K0.5Ni0.3-MP-mp-1223517-synth_doped.cif,data/source/MP/raw/cifs/mp-1223517.cif,mp-1223517,0.0,,2019-01-12 23:54:03.876000,5.87534599912672,,,{'GGA': {'task_id': 'mp-1743010'}},0.0132513644999994,4.21185628,520.0,-59.66633886,-5.966633886,{'tags': []},-59.66633886,-5.966633886,-0.4120461663000007,[],False,[],True,2021-05-12 11:00:52.054000,FM,10,4,mp-1223517,,KBa(FeAs)4,"{'functional': 'PBE', 'labels': ['K_sv', 'Ba_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'K': 1.0, 'Ba': 1.0, 'Fe': 4.0, 'As': 4.0}",GGA,mp-1223517,"['mp-1223517', 'mp-1396881', 'mp-1743010', 'mp-1827585']",0.9947188,"{'K': 1.0, 'Ba': 1.0, 'Fe': 4.0, 'As': 4.0}",197.6961518155852,[],FM,True,65,1,"[0.0, 0.0, 0.3, 0.3, 0.3, 0.3, 0.0, 0.0, 0.0, 0.0]",0.0050315536790412,0.9947188,4,0.9947188,MP,data/source/MP/cleaned/cifs/MP-mp-1223517.cif,True,,data/final/MP/graphs/As2Ba0.5Fe1.7K0.5Ni0.3-MP-mp-1223517-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Al0.27La0.73,2,0.04,8.0,False,Al2.16La5.84,Al2La6,3.82,Other,True,Al27La73,Al-La,2,Supercon,Al0.27La0.73,MP-mp-1084828,La6Al2,Al-La,Al25La75,P 63/m m c,hexagonal,5.462619,7.265429996073226,7.26543004,data/final/MP/cifs/Al0.27La0.73-MP-mp-1084828-synth_doped.cif,data/source/MP/raw/cifs/mp-1084828.cif,mp-1084828,0.0,,2018-04-25 13:28:11,5.900819389809003,,,{'GGA': {'task_id': 'mp-1699786'}},0.0043635418749996,7.93832938,520.0,-38.71831372,-4.839789215,"{'tags': ['Lanthanum aluminium (3/1)', 'Lanthanum aluminide (3/1)']}",-38.71831372,-4.839789215,-0.2013899287500002,['bandstructure'],True,"[603210, 608280]",True,2021-05-12 10:58:18.470000,NM,8,6,mp-1084828,,La3Al,"{'functional': 'PBE', 'labels': ['La', 'Al'], 'pot_type': 'paw'}","{'La': 3.0, 'Al': 1.0}",GGA,mp-1084828,"['mp-1084828', 'mp-1095107', 'mp-1414408', 'mp-1699786', 'mp-1777076', 'mp-1599938']",0.00020505,"{'La': 6.0, 'Al': 2.0}",249.72049769665185,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",1.6422360350177154e-06,0.00020505,0,0.0004101,MP,data/source/MP/cleaned/cifs/MP-mp-1084828.cif,True,,data/final/MP/graphs/Al0.27La0.73-MP-mp-1084828-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As1.972Ba1Ni2P0.028,2,0.0112,1.0,True,As1.972Ba1Ni2P0.028,As2Ba1Ni2,0.634,Ferrite,True,As39.44Ba20Ni40P0.56,As-Ba-Ni-P,4,Supercon,Ba1Ni2As1.972P0.028,MP-mp-568280,Ba1Ni2As2,As-Ba-Ni,As40Ba20Ni40,I 4/m m m,tetragonal,4.156554001148825,4.156554001148825,6.57789079,data/final/MP/cifs/As1.972Ba1Ni2P0.028-MP-mp-568280-synth_doped.cif,data/source/MP/raw/cifs/mp-568280.cif,mp-568280,0.0,,2014-02-16 06:02:25,6.607461026403792,10.17188/1274340,"@misc{osti_1274340,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba(NiAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1274340"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698065'}},0.0,5.18272169,520.0,-26.07345637,-5.214691274,"{'tags': ['Barium nickel arsenide (1/2/2)', 'Barium dinickel diarsenide']}",-26.07345637,-5.214691274,-0.6551950740000002,"['xas', 'elasticity', 'bandstructure']",True,"[185463, 609856, 164197]",True,2021-05-12 10:56:22.739000,NM,5,10,mp-568280,,Ba(NiAs)2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ni_pv', 'As'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Ni': 2.0, 'As': 2.0}",GGA,mp-568280,"['mp-568280', 'mp-1069503', 'mp-1069542', 'mp-1069572', 'mp-1441346', 'mp-1698065', 'mp-1795849', 'mp-1923070', 'mp-1595137', 'mp-1069566']",0.0042893,"{'Ba': 1.0, 'Ni': 2.0, 'As': 2.0}",101.67032396892152,[],NM,False,139,0,"[0, 0, 0, 0, 0]",4.218831840558656e-05,0.0042893,0,0.0042893,MP,data/source/MP/cleaned/cifs/MP-mp-568280.cif,True,,data/final/MP/graphs/As1.972Ba1Ni2P0.028-MP-mp-568280-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ga1Nb0.15Ni2Zr0.85,3,0.075,1.0,True,Ga1Nb0.15Ni2Zr0.85,Ga1Ni2Zr1,2.4,Other,True,Ga25Nb3.75Ni50Zr21.25,Ga-Nb-Ni-Zr,4,Supercon,Ni2Zr0.85Nb0.15Ga1,MP-mp-22580,Zr1Ga1Ni2,Ga-Ni-Zr,Ga25Ni50Zr25,F m -3 m,cubic,4.32844951,4.328449509999999,4.328449509999999,data/final/MP/cifs/Ga1Nb0.15Ni2Zr0.85-MP-mp-22580-synth_doped.cif,data/source/MP/raw/cifs/mp-22580.cif,mp-22580,0.0,,2014-02-21 11:19:08,8.059961670929592,10.17188/1198801,"@misc{osti_1198801,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrGaNi2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198801"",
    place = ""United States"",
    year = ""2016"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701292'}},0.0166428195026888,6.17074416,520.0,-25.25551084,-6.31387771,{'tags': ['Gallium nickel zirconium (1/2/1)']},-25.25551084,-6.31387771,-0.529860206875,"['xas', 'elasticity', 'bandstructure']",True,[103902],True,2021-05-12 10:56:16.728000,NM,4,8,mp-22580,,ZrGaNi2,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Ga_d', 'Ni_pv'], 'pot_type': 'paw'}","{'Zr': 1.0, 'Ga': 1.0, 'Ni': 2.0}",GGA,mp-22580,"['mp-993409', 'mp-991461', 'mp-22580', 'mp-1412922', 'mp-1701292', 'mp-1795292', 'mp-994723', 'mp-1588465']",0.0014644,"{'Zr': 1.0, 'Ga': 1.0, 'Ni': 2.0}",57.34321915229719,[],NM,False,225,0,"[0.0, 0.0, -0.0, -0.0]",2.553745711608407e-05,0.0014644,0,0.0014644,MP,data/source/MP/cleaned/cifs/MP-mp-22580.cif,True,,data/final/MP/graphs/Ga1Nb0.15Ni2Zr0.85-MP-mp-22580-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Pt0.25V0.75,1,0.0,8.0,False,Pt2V6,Pt2V6,3.1025,Other,True,Pt25V75,Pt-V,2,Supercon,Pt0.25V0.75,MP-mp-2211,V6Pt2,Pt-V,Pt25V75,P m -3 n,cubic,4.815138,4.815138,4.815138,data/final/MP/cifs/Pt0.25V0.75-MP-mp-2211.cif,data/source/MP/raw/cifs/mp-2211.cif,mp-2211,0.0,,2011-05-14 02:39:49,10.349465413095606,10.17188/1197352,"@misc{osti_1197352,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Pt (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197352"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671087'}},0.0,6.88881284,520.0,-70.06262386,-8.7578279825,{'tags': ['Platinum vanadium (1/3)']},-70.06262386,-8.7578279825,-0.4271715025000002,"['xas', 'elasticity', 'bandstructure']",True,"[649821, 649827, 649824, 105837]",True,2021-05-12 10:56:16.728000,FM,8,8,mp-2211,,V3Pt,"{'functional': 'PBE', 'labels': ['V_pv', 'Pt'], 'pot_type': 'paw'}","{'V': 3.0, 'Pt': 1.0}",GGA,mp-2211,"['mp-930582', 'mp-913793', 'mp-930954', 'mp-2211', 'mp-1300448', 'mp-1671087', 'mp-1804654', 'mp-1596705']",0.3042985,"{'V': 6.0, 'Pt': 2.0}",111.6416419192432,[],FM,True,223,1,"[0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.0, 0.0]",0.0054513440463392,0.3042985,6,0.608597,MP,data/source/MP/cleaned/cifs/MP-mp-2211.cif,False,,data/final/MP/graphs/Pt0.25V0.75-MP-mp-2211.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
C1Mo0.5Nb0.5,1,0.0,2.0,False,C2Mo1Nb1,C2Mo1Nb1,13.1,Other,True,C50Mo25Nb25,C-Mo-Nb,3,Supercon,Nb0.5Mo0.5C1,MP-mp-1220406,Nb1Mo1C2,C-Mo-Nb,C50Mo25Nb25,R -3 m,trigonal,3.15243188908568,3.15243188908568,5.41032004,data/final/MP/cifs/C1Mo0.5Nb0.5-MP-mp-1220406.cif,data/source/MP/raw/cifs/mp-1220406.cif,mp-1220406,0.0,,2019-01-12 21:15:29.154000,8.06108271761549,,,{'GGA': {'task_id': 'mp-1765506'}},0.1721471579166671,8.66579072,520.0,-39.8816923,-9.970423075,{'tags': []},-39.8816923,-9.970423075,-0.1202957074999986,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,4,5,mp-1220406,,NbMoC2,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Mo_pv', 'C'], 'pot_type': 'paw'}","{'Nb': 1.0, 'Mo': 1.0, 'C': 2.0}",GGA,mp-1220406,"['mp-1220406', 'mp-1430842', 'mp-1765506', 'mp-1791507', 'mp-1630445']",0.0011045,"{'Nb': 1.0, 'Mo': 1.0, 'C': 2.0}",43.8496014856642,[],NM,False,166,0,"[0, 0, 0, 0]",2.518837030619527e-05,0.0011045,0,0.0011045,MP,data/source/MP/cleaned/cifs/MP-mp-1220406.cif,False,,data/final/MP/graphs/C1Mo0.5Nb0.5-MP-mp-1220406.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Ce1In5Rh1,1,0.0,1.0,True,Ce1In5Rh1,Ce1In5Rh1,1.652222222,Heavy_fermion,True,Ce14.286In71.429Rh14.286,Ce-In-Rh,3,Supercon,Ce1Rh1In5,MP-mp-20294,Ce1In5Rh1,Ce-In-Rh,Ce14.286In71.429Rh14.286,P 4/m m m,tetragonal,4.709358,4.709358,7.592679,data/final/MP/cifs/Ce1In5Rh1-MP-mp-20294.cif,data/source/MP/raw/cifs/mp-20294.cif,mp-20294,0.0,,2015-11-23 15:12:00,8.05771622389016,10.17188/1195421,"@misc{osti_1195421,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeIn5Rh (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195421"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701496'}},0.0,7.74909127,520.0,-30.04466451,-4.29209493,"{'tags': ['High pressure experimental phase', 'Cerium rhodium indium (1/1/5) - HP', 'Cerium rhodium indide (1/1/5)']}",-30.04466451,-4.29209493,-0.4269784049999998,"['xas', 'bandstructure']",True,"[150226, 110780, 110777, 110779, 110778]",True,2021-05-12 10:56:57.051000,FM,7,8,mp-20294,,CeIn5Rh,"{'functional': 'PBE', 'labels': ['Ce', 'In_d', 'Rh_pv'], 'pot_type': 'paw'}","{'Ce': 1.0, 'In': 5.0, 'Rh': 1.0}",GGA,mp-20294,"['mp-986842', 'mp-988024', 'mp-1430916', 'mp-1701496', 'mp-1780117', 'mp-988278', 'mp-1588425', 'mp-20294']",0.0607598,"{'Ce': 1.0, 'In': 5.0, 'Rh': 1.0}",168.39083554410138,[],FM,True,123,1,"[0.1, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0003608260497293,0.0607598,1,0.0607598,MP,data/source/MP/cleaned/cifs/MP-mp-20294.cif,False,,data/final/MP/graphs/Ce1In5Rh1-MP-mp-20294.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ta0.75V0.25,3,0.1,10.0,False,Ta7.5V2.5,Ta8V2,2.65,Other,True,Ta75V25,Ta-V,2,Supercon,Ta0.75V0.25,MP-mp-1208384,Ta8V2,Ta-V,Ta80V20,F d -3 m,cubic,6.58410883,6.584108829999999,6.584108829999999,data/final/MP/cifs/Ta0.75V0.25-MP-mp-1208384-synth_doped.cif,data/source/MP/raw/cifs/mp-1208384.cif,mp-1208384,0.0,,2019-01-12 11:18:39.441000,12.748384556341303,,,,1.472371636000002,4.67194919,520.0,-98.61915162,-9.861915162,"{'tags': ['MgCu2', 'Friauf-Laves phase, Frank-Kasper phase', 'TaV2 rt']}",-98.61915162,-9.861915162,1.4410881559999993,[],False,[],True,2021-05-12 11:00:21.818000,NM,10,2,mp-1208384,,Ta4V,"{'functional': 'PBE', 'labels': ['Ta_pv', 'V_pv'], 'pot_type': 'paw'}","{'Ta': 4.0, 'V': 1.0}",GGA,mp-1208384,"['mp-1208384', 'mp-1832634']",8.505e-05,"{'Ta': 8.0, 'V': 2.0}",201.8254846658325,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",8.428073406172605e-07,8.505e-05,0,0.0001701,MP,data/source/MP/cleaned/cifs/MP-mp-1208384.cif,True,,data/final/MP/graphs/Ta0.75V0.25-MP-mp-1208384-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Bi2Ca1Cu2Sr2O8.195,2,0.0119776242184929,1.952382001220256,False,Bi3.905Ca1.952Cu3.905Sr3.905O16,Bi4Ca2Cu4Sr4O16,91.0,Cuprate,True,Bi13.162Ca6.581Cu13.162Sr13.162O53.93221454425798,Bi-Ca-Cu-Sr-O,5,Supercon,Bi2Sr2Ca1Cu2O8.195,MP-mp-1218930,Sr4Ca2Cu4Bi4O16,Bi-Ca-Cu-Sr-O,Bi13.333Ca6.667Cu13.333Sr13.333O53.333333333333336,C c c 2,orthorhombic,5.417115,5.472898000129128,16.11398919,data/final/MP/cifs/Bi2Ca1Cu2Sr2O8.195-MP-mp-1218930-synth_doped.cif,data/source/MP/raw/cifs/mp-1218930.cif,mp-1218930,0.0,,2019-01-12 20:01:06.544000,6.266668983881059,,,,0.039252223722225,4.51768334,520.0,-173.15021002,-5.771673667333333,{'tags': []},-173.15021002,-5.771673667333333,-2.074956548222222,[],False,[],True,2021-05-12 11:00:42.526000,NM,30,3,mp-1218930,oxide,Sr2CaCu2(BiO4)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'O': 8.0}",GGA,mp-1218930,"['mp-1218930', 'mp-1359698', 'mp-1817714']",0.00011165,"{'Sr': 4.0, 'Ca': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'O': 16.0}",470.7976286073367,[],NM,False,37,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.743014544498498e-07,0.00011165,0,0.0002233,MP,data/source/MP/cleaned/cifs/MP-mp-1218930.cif,True,,data/final/MP/graphs/Bi2Ca1Cu2Sr2O8.195-MP-mp-1218930-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
Al43Ta4Y6,1,0.0,2.0,False,Al86Ta8Y12,Al86Ta8Y12,0.68,Other,True,Al81.132Ta7.547Y11.321,Al-Ta-Y,3,Supercon,Y6Ta4Al43,MP-mp-1207857,Y12Ta8Al86,Al-Ta-Y,Al81.132Ta7.547Y11.321,P 63/m c m,hexagonal,11.140401995728888,11.140402740000004,17.760454,data/final/MP/cifs/Al43Ta4Y6-MP-mp-1207857.cif,data/source/MP/raw/cifs/mp-1207857.cif,mp-1207857,0.0060000000000002,,2019-01-12 10:53:04.679000,4.205784742000792,,,,0.0,7.14507468,520.0,-527.49751555,-4.976391656132075,"{'tags': ['Y6Ta4Al43', 'Ho6Mo4Al43']}",-527.49751555,-4.976391656132075,-0.3105482997169814,[],False,[],True,2021-05-12 11:00:19.396000,NM,106,2,mp-1207857,,Y6Ta4Al43,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ta_pv', 'Al'], 'pot_type': 'paw'}","{'Y': 6.0, 'Ta': 4.0, 'Al': 43.0}",GGA,mp-1207857,"['mp-1207857', 'mp-1336457']",0.1843404,"{'Y': 12.0, 'Ta': 8.0, 'Al': 86.0}",1908.9144204882275,[],NM,False,193,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0001931363690498,0.1843404,0,0.3686808,MP,data/source/MP/cleaned/cifs/MP-mp-1207857.cif,False,,data/final/MP/graphs/Al43Ta4Y6-MP-mp-1207857.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
N0.92Nb1,2,0.0416666666666666,1.0,True,N0.92Nb1,N1Nb1,16.5,Other,True,N47.917Nb52.083,N-Nb,2,Supercon,N0.92Nb1,MP-mp-2634,Nb1N1,N-Nb,N50Nb50,P -6 m 2,hexagonal,2.898656,2.9761920047347994,2.97619211,data/final/MP/cifs/N0.92Nb1-MP-mp-2634-synth_doped.cif,data/source/MP/raw/cifs/mp-2634.cif,mp-2634,0.0,,2011-05-12 17:49:04,7.984187332554685,10.17188/1201157,"@misc{osti_1201157,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NbN (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201157"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671304'}},0.0,7.12357548,520.0,-20.57319827,-10.286599135,"{'tags': ['Niobium nitride (1/1)', 'Niobium nitride', 'Niobium nitride (1/1) - gamma']}",-20.57319827,-10.286599135,-1.2481991524999998,"['xas', 'elasticity', 'bandstructure']",True,"[185569, 644536, 76385, 191062]",True,2021-05-12 10:56:18.721000,NM,2,17,mp-2634,,NbN,"{'functional': 'PBE', 'labels': ['Nb_pv', 'N'], 'pot_type': 'paw'}","{'Nb': 1.0, 'N': 1.0}",GGA,mp-2634,"['mp-926732', 'mp-910421', 'mp-926222', 'mp-2634', 'mp-1058402', 'mp-1058440', 'mp-1058487', 'mp-1061535', 'mp-1061589', 'mp-1061648', 'mp-1116126', 'mp-1442283', 'mp-1671304', 'mp-1924826', 'mp-1594881', 'mp-1061618', 'mp-1058457']",0.0002504,"{'Nb': 1.0, 'N': 1.0}",22.23561881453577,[],NM,False,187,0,"[0, 0]",1.1261211216496917e-05,0.0002504,0,0.0002504,MP,data/source/MP/cleaned/cifs/MP-mp-2634.cif,True,,data/final/MP/graphs/N0.92Nb1-MP-mp-2634-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
B2Nd1Rh3,1,0.0,1.0,True,B2Nd1Rh3,B2Nd1Rh3,0.0,Other,True,B33.333Nd16.667Rh50,B-Nd-Rh,3,Supercon,Nd1Rh3B2,MP-mp-3055,Nd1B2Rh3,B-Nd-Rh,B33.333Nd16.667Rh50,P 6/m m m,hexagonal,3.125381,5.516040003634592,5.51604107,data/final/MP/cifs/B2Nd1Rh3-MP-mp-3055.cif,data/source/MP/raw/cifs/mp-3055.cif,mp-3055,0.0,,2011-05-13 09:34:25,9.56908609510622,10.17188/1204944,"@misc{osti_1204944,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NdB2Rh3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204944"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702850'}},0.0,6.46946692,520.0,-44.13635659,-7.356059431666666,"{'tags': ['Niobium rhodium boride (1/3/2)', 'Neodymium rhodium boride (1/3/2)']}",-44.13635659,-7.356059431666666,-0.6527510380555555,"['xas', 'elasticity', 'bandstructure']",True,"[108071, 614963]",True,2021-05-12 10:56:18.721000,NM,6,8,mp-3055,,NdB2Rh3,"{'functional': 'PBE', 'labels': ['Nd_3', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Nd': 1.0, 'B': 2.0, 'Rh': 3.0}",GGA,mp-3055,"['mp-914308', 'mp-931046', 'mp-3055', 'mp-930944', 'mp-1476097', 'mp-1702850', 'mp-1924162', 'mp-1587143']",0.0022863,"{'Nd': 1.0, 'B': 2.0, 'Rh': 3.0}",82.35472569314504,[],NM,False,191,0,"[-0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.776161271569027e-05,0.0022863,0,0.0022863,MP,data/source/MP/cleaned/cifs/MP-mp-3055.cif,False,,data/final/MP/graphs/B2Nd1Rh3-MP-mp-3055.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Eu1Ga1Ge1,1,0.0,4.0,False,Eu4Ga4Ge4,Eu4Ga4Ge4,0.0,Other,True,Eu33.333Ga33.333Ge33.333,Eu-Ga-Ge,3,Supercon,Eu1Ga1Ge1,MP-mp-1101845,Eu4Ga4Ge4,Eu-Ga-Ge,Eu33.333Ga33.333Ge33.333,P 63/m m c,hexagonal,4.298219999874829,4.29822025,17.867932,data/final/MP/cifs/Eu1Ga1Ge1-MP-mp-1101845.cif,data/source/MP/raw/cifs/mp-1101845.cif,mp-1101845,0.0,,2018-07-18 12:37:38,6.83843864721295,,,{'GGA': {'task_id': 'mp-1708822'}},0.0,3.32072063,520.0,-78.95261582,-6.579384651666667,{'tags': ['Europium gallium germanide (1/1/1)']},-78.95261582,-6.579384651666667,-0.5983288675000011,[],False,[249599],True,2021-05-12 10:59:31.014000,FM,12,4,mp-1101845,,EuGaGe,"{'functional': 'PBE', 'labels': ['Eu', 'Ga_d', 'Ge_d'], 'pot_type': 'paw'}","{'Eu': 1.0, 'Ga': 1.0, 'Ge': 1.0}",GGA,mp-1101845,"['mp-1101845', 'mp-1427507', 'mp-1708822', 'mp-1860857']",7.0548123,"{'Eu': 4.0, 'Ga': 4.0, 'Ge': 4.0}",285.8789890902175,[],FM,True,194,2,"[6.8, 6.8, 6.8, 6.8, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0987104693835844,7.0548123,4,28.2192492,MP,data/source/MP/cleaned/cifs/MP-mp-1101845.cif,False,,data/final/MP/graphs/Eu1Ga1Ge1-MP-mp-1101845.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Bi1.9Cu0.1Se3,2,0.04,1.0,True,Bi1.9Cu0.1Se3,Bi2Se3,0.0,Other,True,Bi38Cu2Se60,Bi-Cu-Se,3,Supercon,Cu0.1Bi1.9Se3,MP-mp-541837,Bi2Se3,Bi-Se,Bi40Se60,R -3 m,trigonal,4.189766129949006,4.189766129949006,10.42166891,data/final/MP/cifs/Bi1.9Cu0.1Se3-MP-mp-541837-synth_doped.cif,data/source/MP/raw/cifs/mp-541837.cif,mp-541837,0.5434000000000001,,2014-03-04 20:28:07,7.056072307673697,10.17188/1266263,"@misc{osti_1266263,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Bi2Se3 (SG:166) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1266263"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1069458'}},0.0,3.28797875,520.0,-20.19891165,-4.03978233,"{'tags': ['Bismuth selenide', 'Bismuth selenide (2/3)', 'Paraguanajuatite']}",-20.19891165,-4.03978233,-0.6694217194062496,"['diel', 'eos', 'elasticity', 'bandstructure']",True,"[617101, 20385, 617083, 42545, 617072, 165226, 617079]",True,2021-05-12 10:56:22.739000,NM,5,21,mp-541837,,Bi2Se3,"{'functional': 'PBE', 'labels': ['Bi', 'Se'], 'pot_type': 'paw'}","{'Bi': 2.0, 'Se': 3.0}",GGA,mp-541837,"['mp-925855', 'mp-909870', 'mp-924887', 'mp-541837', 'mp-1068960', 'mp-1069018', 'mp-1068982', 'mp-1069440', 'mp-1069448', 'mp-1069458', 'mp-1070734', 'mp-1070756', 'mp-1070785', 'mp-1142301', 'mp-1237221', 'mp-1439862', 'mp-1780759', 'mp-1590342', 'mp-1069459', 'mp-1070776', 'mp-1069013']",0.0031875,"{'Bi': 2.0, 'Se': 3.0}",154.10680097779445,[],NM,False,166,0,"[0, 0, 0, 0, 0]",2.068370753124188e-05,0.0031875,0,0.0031875,MP,data/source/MP/cleaned/cifs/MP-mp-541837.cif,True,,data/final/MP/graphs/Bi1.9Cu0.1Se3-MP-mp-541837-synth_doped.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
As1Rh0.14Ru0.86,3,0.14,4.0,False,As4Rh0.56Ru3.44,As4Ru4,0.75,Other,True,As50Rh7Ru43,As-Rh-Ru,3,Supercon,Ru0.86Rh0.14As1,MP-mp-15650,As4Ru4,As-Ru,As50Ru50,P n m a,orthorhombic,3.352683,5.766234,6.42637,data/final/MP/cifs/As1Rh0.14Ru0.86-MP-mp-15650-synth_doped.cif,data/source/MP/raw/cifs/mp-15650.cif,mp-15650,0.0,,2011-05-29 08:50:51,9.409153356035254,10.17188/1191295,"@misc{osti_1191295,
    author = ""Persson, Kristin"",
    title = ""Materials Data on AsRu (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191295"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1695137'}},0.0357557600000024,7.77684685,520.0,-57.83075908,-7.228844885,"{'tags': ['Ruthenarsenite', 'Ruthenium arsenide (1/1)', 'Ruthenium(III) arsenide']}",-57.83075908,-7.228844885,-0.2620908549999994,"['xas', 'bandstructure']",True,"[611293, 42577]",True,2021-05-12 10:56:53.126000,NM,8,8,mp-15650,,AsRu,"{'functional': 'PBE', 'labels': ['As', 'Ru_pv'], 'pot_type': 'paw'}","{'As': 1.0, 'Ru': 1.0}",GGA,mp-15650,"['mp-942479', 'mp-942865', 'mp-921019', 'mp-15650', 'mp-1413342', 'mp-1695137', 'mp-1802887', 'mp-1596913']",0.002763975,"{'As': 4.0, 'Ru': 4.0}",124.23686431085332,[],NM,False,62,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",8.899049457926602e-05,0.002763975,0,0.0110559,MP,data/source/MP/cleaned/cifs/MP-mp-15650.cif,True,,data/final/MP/graphs/As1Rh0.14Ru0.86-MP-mp-15650-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
C2Pt0.3Rh0.7U2,3,0.12,1.0,True,C2Pt0.3Rh0.7U2,C2Rh1U2,0.0,Heavy_fermion,True,C40Pt6Rh14U40,C-Pt-Rh-U,4,Supercon,U2Pt0.3Rh0.7C2,MP-mp-1069790,U2Rh1C2,C-Rh-U,C40Rh20U40,I 4/m m m,tetragonal,3.45519800165464,3.45519800165464,6.75012866,data/final/MP/cifs/C2Pt0.3Rh0.7U2-MP-mp-1069790-synth_doped.cif,data/source/MP/raw/cifs/mp-1069790.cif,mp-1069790,0.0,,2018-03-22 01:49:35,13.328741052294186,,,{'GGA': {'task_id': 'mp-1678120'}},0.0,10.53389718,520.0,-49.92071488,-9.984142976,"{'tags': ['Uranium rhodium carbide (2/1/2)', 'Rhodium uranium carbide (1/2/2)', 'Na2HgO2', 'U2RhC2']}",-49.92071488,-9.984142976,-0.3040051179999992,['bandstructure'],True,"[604010, 618732, 618730]",True,2021-05-12 10:58:14.654000,FM,5,16,mp-1069790,,U2RhC2,"{'functional': 'PBE', 'labels': ['U', 'Rh_pv', 'C'], 'pot_type': 'paw'}","{'U': 2.0, 'Rh': 1.0, 'C': 2.0}",GGA,mp-1069790,"['mp-1069790', 'mp-1069821', 'mp-1069857', 'mp-1069831', 'mp-1069934', 'mp-1069969', 'mp-1070617', 'mp-1070658', 'mp-1070795', 'mp-1438538', 'mp-1678120', 'mp-1799718', 'mp-1590168', 'mp-1070757', 'mp-1069902', 'mp-1069923']",2.1803942,"{'U': 2.0, 'Rh': 1.0, 'C': 2.0}",75.1218498577192,[],FM,True,139,1,"[1.1, 1.1, 0.0, 0.0, 0.0]",0.0290247671500324,2.1803942,2,2.1803942,MP,data/source/MP/cleaned/cifs/MP-mp-1069790.cif,True,,data/final/MP/graphs/C2Pt0.3Rh0.7U2-MP-mp-1069790-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2Mo0.84,3,0.0751173708920188,2.0,False,B4Mo1.68,B4Mo2,0.0,Other,True,B70.423Mo29.577,B-Mo,2,Supercon,B2Mo0.84,MP-mp-2331,B4Mo2,B-Mo,B66.667Mo33.333,R -3 m,trigonal,3.027958847262584,3.027958847262584,7.20393392,data/final/MP/cifs/B2Mo0.84-MP-mp-2331-synth_doped.cif,data/source/MP/raw/cifs/mp-2331.cif,mp-2331,0.0,,2011-05-12 22:01:57,7.035996278697895,10.17188/1199416,"@misc{osti_1199416,
    author = ""Persson, Kristin"",
    title = ""Materials Data on B2Mo (SG:166) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199416"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686405'}},0.0,8.84858745,520.0,-50.99919303,-8.499865505,"{'tags': ['Molybdenum boride (1/2)', 'Molybdenum diboride', 'Molybdenum boride (2/4)', 'Molybdenum boride (1/2) - beta', 'Molybdenum boride', 'Dimolybdenium tetraboride']}",-50.99919303,-8.499865505,-0.4317233144444448,"['xas', 'elasticity', 'bandstructure']",True,"[252125, 40907, 418397, 418398, 39554, 167732, 44451, 191908]",True,2021-05-12 10:56:16.728000,NM,6,13,mp-2331,,B2Mo,"{'functional': 'PBE', 'labels': ['B', 'Mo_pv'], 'pot_type': 'paw'}","{'B': 2.0, 'Mo': 1.0}",GGA,mp-2331,"['mp-920254', 'mp-921267', 'mp-906549', 'mp-2331', 'mp-1070862', 'mp-1070903', 'mp-1070939', 'mp-1077759', 'mp-1440002', 'mp-1686405', 'mp-1793532', 'mp-1588848', 'mp-1070920']",0.00061575,"{'B': 4.0, 'Mo': 2.0}",55.49073251748694,[],NM,False,166,0,"[0, 0, 0, 0, 0, 0]",2.2192894995788967e-05,0.00061575,0,0.0012315,MP,data/source/MP/cleaned/cifs/MP-mp-2331.cif,True,,data/final/MP/graphs/B2Mo0.84-MP-mp-2331-synth_doped.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Ba1.76Cu4Sr0.24Y1O8,3,0.032,1.0,True,Ba1.76Cu4Sr0.24Y1O8,Ba2Cu4Y1O8,76.0,Cuprate,True,Ba11.733Cu26.667Sr1.6Y6.667O53.333333333333336,Ba-Cu-Sr-Y-O,5,Supercon,Y1Ba1.76Sr0.24Cu4O8,MP-mp-6790,Ba2Y1Cu4O8,Ba-Cu-Y-O,Ba13.333Cu26.667Y6.667O53.333333333333336,C m m m,orthorhombic,3.889922,3.899603999537882,13.88942687,data/final/MP/cifs/Ba1.76Cu4Sr0.24Y1O8-MP-mp-6790-synth_doped.cif,data/source/MP/raw/cifs/mp-6790.cif,mp-6790,0.0,,2011-05-16 03:21:24,5.936250568336678,10.17188/1283441,"@misc{osti_1283441,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2Y(CuO2)4 (SG:65) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1283441"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686864'}},0.0,3.31391536,520.0,-91.58381472,-6.105587648,"{'tags': ['Yttrium barium copper oxide (1/2/4/8)', 'High pressure experimental phase']}",-91.58381472,-6.105587648,-2.0529924817777783,"['xas', 'bandstructure']",True,"[72261, 85273, 74251, 400273, 85277, 85275, 400280, 67632, 85272, 67631, 83920, 66613, 85279, 400277, 75689, 74259, 85278, 85280, 66603, 94265, 400276, 88873, 71417, 75712, 97052, 66605, 72258, 85281, 85274, 400279, 66604, 69698]",True,2021-05-12 10:57:34.594000,NM,15,10,mp-6790,oxide,Ba2Y(CuO2)4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Y_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Y': 1.0, 'Cu': 4.0, 'O': 8.0}",GGA,mp-6790,"['mp-1000664', 'mp-6790', 'mp-1007136', 'mp-1237713', 'mp-1440937', 'mp-1686864', 'mp-1834179', 'mp-1011883', 'mp-1590064', 'mp-1590433']",0.0004643,"{'Ba': 2.0, 'Y': 1.0, 'Cu': 4.0, 'O': 8.0}",208.60454115924333,[],NM,False,65,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.225742533790601e-06,0.0004643,0,0.0004643,MP,data/source/MP/cleaned/cifs/MP-mp-6790.cif,True,,data/final/MP/graphs/Ba1.76Cu4Sr0.24Y1O8-MP-mp-6790-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Fe0.05S2Ta1,3,0.1210592686002522,8.0,False,Fe0.4S16Ta8,Fe2S16Ta8,3.0,Ferrite,True,Fe1.639S65.574Ta32.787,Fe-S-Ta,3,Supercon,Fe0.05Ta1S2,MP-mp-554416,Ta8Fe2S16,Fe-S-Ta,Fe7.692S61.538Ta30.769,P 63/m m c,hexagonal,6.628595996871803,6.628595539999999,11.749648,data/final/MP/cifs/Fe0.05S2Ta1-MP-mp-554416-synth_doped.cif,data/source/MP/raw/cifs/mp-554416.cif,mp-554416,0.0,,2014-02-22 17:40:16,7.696723916177074,10.17188/1267892,"@misc{osti_1267892,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ta4FeS8 (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1267892"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1735656'}},0.0,6.14469371,520.0,-204.23291839,-7.855112245769231,{'tags': ['Iron tantalum sulfide (0.25/1/2)']},-204.23291839,-7.855112245769231,-1.3190570223076925,"['xas', 'bandstructure']",True,[417150],True,2021-05-12 10:57:15.388000,NM,26,9,mp-554416,,Ta4FeS8,"{'functional': 'PBE', 'labels': ['Ta_pv', 'Fe_pv', 'S'], 'pot_type': 'paw'}","{'Ta': 4.0, 'Fe': 1.0, 'S': 8.0}",GGA,mp-554416,"['mp-992332', 'mp-991827', 'mp-915040', 'mp-554416', 'mp-1404623', 'mp-1735656', 'mp-1822490', 'mp-993936', 'mp-1615804']",0.0005182,"{'Ta': 8.0, 'Fe': 2.0, 'S': 16.0}",447.0936983866525,[],NM,False,194,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.318082325337781e-06,0.0005182,0,0.0010364,MP,data/source/MP/cleaned/cifs/MP-mp-554416.cif,True,,data/final/MP/graphs/Fe0.05S2Ta1-MP-mp-554416-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Bi0.15Nb3Sn0.85,3,0.075,2.0,False,Bi0.3Nb6Sn1.7,Nb6Sn2,18.255000000000003,Other,True,Bi3.75Nb75Sn21.25,Bi-Nb-Sn,3,Supercon,Nb3Bi0.15Sn0.85,MP-mp-1326,Nb6Sn2,Nb-Sn,Nb75Sn25,P m -3 n,cubic,5.334611,5.334611,5.334611,data/final/MP/cifs/Bi0.15Nb3Sn0.85-MP-mp-1326-synth_doped.cif,data/source/MP/raw/cifs/mp-1326.cif,mp-1326,0.0,,2011-05-14 09:51:48,8.694218121896231,10.17188/1189484,"@misc{osti_1189484,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Sn (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189484"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668415'}},0.0,6.59372491,520.0,-69.93787048,-8.74223381,{'tags': ['Niobium tin (3/1)']},-69.93787048,-8.74223381,-0.163862066250001,"['xas', 'elasticity', 'bandstructure']",True,"[105230, 645503, 645489, 105231, 645498, 645485, 645474, 645496, 645480, 645488, 645482, 645487, 645500, 645493, 645477, 645484, 645502, 645483, 150878, 645479, 645481, 645486, 645473]",True,2021-05-12 10:56:12.755000,NM,8,9,mp-1326,,Nb3Sn,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Sn_d'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Sn': 1.0}",GGA,mp-1326,"['mp-930046', 'mp-913770', 'mp-930577', 'mp-1326', 'mp-1440651', 'mp-1668415', 'mp-1880085', 'mp-1594093', 'mp-1594507']",0.62023085,"{'Nb': 6.0, 'Sn': 2.0}",151.81275738025872,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0081709977567491,0.62023085,0,1.2404617,MP,data/source/MP/cleaned/cifs/MP-mp-1326.cif,True,,data/final/MP/graphs/Bi0.15Nb3Sn0.85-MP-mp-1326-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Bi0.2Pb0.8,1,0.0,5.0,False,Bi1Pb4,Bi1Pb4,8.15,Other,True,Bi20Pb80,Bi-Pb,2,Supercon,Bi0.2Pb0.8,MP-mp-1227459,Bi1Pb4,Bi-Pb,Bi20Pb80,R -3 m,trigonal,3.5882808102011707,3.5882808102011707,14.47059302,data/final/MP/cifs/Bi0.2Pb0.8-MP-mp-1227459.cif,data/source/MP/raw/cifs/mp-1227459.cif,mp-1227459,0.0,,2019-01-13 03:17:27.591000,10.791002976597666,,,{'GGA': {'task_id': 'mp-1732758'}},0.0323387500000009,6.75161444,520.0,-18.57892884,-3.715785768,{'tags': []},-18.57892884,-3.715785768,0.0323387500000002,['bandstructure'],True,[],True,2021-05-12 10:58:49.477000,NM,5,5,mp-1227459,,BiPb4,"{'functional': 'PBE', 'labels': ['Bi', 'Pb_d'], 'pot_type': 'paw'}","{'Bi': 1.0, 'Pb': 4.0}",GGA,mp-1227459,"['mp-1227459', 'mp-1405743', 'mp-1732758', 'mp-1781219', 'mp-1624057']",0.0246001,"{'Bi': 1.0, 'Pb': 4.0}",159.69552603117825,[],NM,False,166,0,"[0, 0, 0, 0, 0]",0.0001540437644771,0.0246001,0,0.0246001,MP,data/source/MP/cleaned/cifs/MP-mp-1227459.cif,False,,data/final/MP/graphs/Bi0.2Pb0.8-MP-mp-1227459.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
W2Zr1,1,0.0,2.0,False,W4Zr2,W4Zr2,1.08,Other,True,W66.667Zr33.333,W-Zr,2,Supercon,W2Zr1,MP-mp-675,Zr2W4,W-Zr,W66.667Zr33.333,F d -3 m,cubic,5.42217399,5.422173989999999,5.422173989999999,data/final/MP/cifs/W2Zr1-MP-mp-675.cif,data/source/MP/raw/cifs/mp-675.cif,mp-675,0.0,,2011-05-13 16:14:58,13.52058818410364,10.17188/1282546,"@misc{osti_1282546,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrW2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1282546"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686415'}},0.0,5.39306874,520.0,-69.7994734,-11.633245566666666,"{'tags': ['Zirconium tungsten (1/2)', 'Tungsten zirconium (2/1) - HT', 'Tungsten zirconium (2/1)']}",-69.7994734,-11.633245566666666,-0.1452610433333324,"['xas', 'elasticity', 'bandstructure']",True,"[653443, 106217, 653444, 653445, 106218, 151401, 653446, 653438, 653435, 653447]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-675,,ZrW2,"{'functional': 'PBE', 'labels': ['Zr_sv', 'W_pv'], 'pot_type': 'paw'}","{'Zr': 1.0, 'W': 2.0}",GGA,mp-675,"['mp-977936', 'mp-675', 'mp-914569', 'mp-1440342', 'mp-1686415', 'mp-1927735', 'mp-978162', 'mp-1596109']",8.01e-05,"{'Zr': 2.0, 'W': 4.0}",112.72113453095687,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",1.4212064194226493e-06,8.01e-05,0,0.0001602,MP,data/source/MP/cleaned/cifs/MP-mp-675.cif,False,,data/final/MP/graphs/W2Zr1-MP-mp-675.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
La3Sb3Y1,1,0.0,2.0,False,La6Sb6Y2,La6Sb6Y2,0.13,Other,True,La42.857Sb42.857Y14.286,La-Sb-Y,3,Supercon,La3Sb3Y1,MP-mp-1223124,La6Y2Sb6,La-Sb-Y,La42.857Sb42.857Y14.286,C 1 2 1,monoclinic,8.28204326,8.28204326,8.335560559925742,data/final/MP/cifs/La3Sb3Y1-MP-mp-1223124.cif,data/source/MP/raw/cifs/mp-1223124.cif,mp-1223124,0.0,,2019-01-12 23:33:45.121000,6.550430930197326,,,,0.0216673469999992,7.57989848,520.0,-82.65600708,-5.9040005057142855,{'tags': []},-82.65600708,-5.9040005057142855,-1.1775010559523815,[],False,[],True,2021-05-12 11:00:52.054000,NM,14,3,mp-1223124,,La3YSb3,"{'functional': 'PBE', 'labels': ['La', 'Y_sv', 'Sb'], 'pot_type': 'paw'}","{'La': 3.0, 'Y': 1.0, 'Sb': 3.0}",GGA,mp-1223124,"['mp-1223124', 'mp-1379872', 'mp-1819592']",0.1722655,"{'La': 6.0, 'Y': 2.0, 'Sb': 6.0}",441.54872903198935,[],NM,False,5,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0007802785453721,0.1722655,0,0.344531,MP,data/source/MP/cleaned/cifs/MP-mp-1223124.cif,False,,data/final/MP/graphs/La3Sb3Y1-MP-mp-1223124.json,0,True,2,0,0,1,0,0,0,0,0,1,0,0,1.0,False
Bi1Ni1,1,0.0,16.0,False,Bi16Ni16,Bi16Ni16,4.25,Ferrite,True,Bi50Ni50,Bi-Ni,2,Supercon,Bi1Ni1,MP-mp-1220533,Ni16Bi16,Bi-Ni,Bi50Ni50,C 1 m 1,monoclinic,8.23272078,8.23272078,11.520594371983757,data/final/MP/cifs/Bi1Ni1-MP-mp-1220533.cif,data/source/MP/raw/cifs/mp-1220533.cif,mp-1220533,0.0,,2019-01-12 21:21:54.272000,11.220199508894426,,,,0.0,7.50126235,520.0,-155.32115035,-4.8537859484375,{'tags': []},-155.32115035,-4.8537859484375,-0.0187004534375008,[],False,[],True,2021-05-12 11:00:47.244000,NM,32,2,mp-1220533,,NiBi,"{'functional': 'PBE', 'labels': ['Ni_pv', 'Bi'], 'pot_type': 'paw'}","{'Ni': 1.0, 'Bi': 1.0}",GGA,mp-1220533,"['mp-1220533', 'mp-1935761']",0.0005955375,"{'Ni': 16.0, 'Bi': 16.0}",633.8322974067286,[],NM,False,8,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",1.5033314078480166e-05,0.0005955375,0,0.0095286,MP,data/source/MP/cleaned/cifs/MP-mp-1220533.cif,False,,data/final/MP/graphs/Bi1Ni1-MP-mp-1220533.json,0,True,m,0,0,5,0,0,0,0,0,1,0,0,1.0,False
Bi1Y1,1,0.0,1.0,True,Bi1Y1,Bi1Y1,0.0,Other,True,Bi50Y50,Bi-Y,2,Supercon,Bi1Y1,MP-mp-23241,Y1Bi1,Bi-Y,Bi50Y50,F m -3 m,cubic,4.48374571,4.483745709999999,4.483745709999999,data/final/MP/cifs/Bi1Y1-MP-mp-23241.cif,data/source/MP/raw/cifs/mp-23241.cif,mp-23241,0.0,,2014-02-21 07:23:42,7.760534406833078,10.17188/1199359,"@misc{osti_1199359,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YBi (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199359"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688168'}},0.0,4.70649666,520.0,-12.13607028,-6.06803514,{'tags': ['Bismuth yttrium (1/1)']},-12.13607028,-6.06803514,-0.8897824283333335,"['xas', 'elasticity', 'bandstructure']",True,"[58869, 617246, 617242]",True,2021-05-12 10:56:16.728000,NM,2,8,mp-23241,,YBi,"{'functional': 'PBE', 'labels': ['Y_sv', 'Bi'], 'pot_type': 'paw'}","{'Y': 1.0, 'Bi': 1.0}",GGA,mp-23241,"['mp-912146', 'mp-928246', 'mp-928742', 'mp-23241', 'mp-1439104', 'mp-1688168', 'mp-1795458', 'mp-1590304']",0.00013,"{'Y': 1.0, 'Bi': 1.0}",63.73939339698538,[],NM,False,225,0,"[0, 0]",2.039555023536645e-06,0.00013,0,0.00013,MP,data/source/MP/cleaned/cifs/MP-mp-23241.cif,False,,data/final/MP/graphs/Bi1Y1-MP-mp-23241.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Al0.8Nb3Zn0.2,3,0.0999999999999999,2.0,False,Al1.6Nb6Zn0.4,Al2Nb6,17.7,Other,True,Al20Nb75Zn5,Al-Nb-Zn,3,Supercon,Nb3Al0.8Zn0.2,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al0.8Nb3Zn0.2-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al0.8Nb3Zn0.2-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Pt2Si2Y1,1,0.0,2.0,False,Pt4Si4Y2,Pt4Si4Y2,1.57,Other,True,Pt40Si40Y20,Pt-Si-Y,3,Supercon,Y1Pt2Si2,MP-mp-1080646,Y2Si4Pt4,Pt-Si-Y,Pt40Si40Y20,P 4/n m m,tetragonal,4.179326,4.179326,9.983629,data/final/MP/cifs/Pt2Si2Y1-MP-mp-1080646.cif,data/source/MP/raw/cifs/mp-1080646.cif,mp-1080646,0.0,,2018-04-24 12:21:23,10.193672089240732,,,{'GGA': {'task_id': 'mp-1701176'}},0.0,7.48435234,520.0,-69.80437872,-6.980437872,{'tags': ['Platinum yttrium silicide (2/1/2)']},-69.80437872,-6.980437872,-1.0886549573333333,['bandstructure'],True,[649646],True,2021-05-12 10:58:18.470000,NM,10,6,mp-1080646,,Y(SiPt)2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Si', 'Pt'], 'pot_type': 'paw'}","{'Y': 1.0, 'Si': 2.0, 'Pt': 2.0}",GGA,mp-1080646,"['mp-1080646', 'mp-1265710', 'mp-1413081', 'mp-1701176', 'mp-1780330', 'mp-1602486']",0.0037208,"{'Y': 2.0, 'Si': 4.0, 'Pt': 4.0}",174.3817097196145,[],NM,False,129,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.2674200247062765e-05,0.0037208,0,0.0074416,MP,data/source/MP/cleaned/cifs/MP-mp-1080646.cif,False,,data/final/MP/graphs/Pt2Si2Y1-MP-mp-1080646.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ba0.75Na0.25Sb2Ti2O1,3,0.0833333333333333,1.0,True,Ba0.75Na0.25Sb2Ti2O1,Ba1Sb2Ti2O1,5.015,Oxide,True,Ba12.5Na4.167Sb33.333Ti33.333O16.666666666666668,Ba-Na-Sb-Ti-O,5,Supercon,Ba0.75Na0.25Ti2Sb2O1,MP-mp-1070806,Ba1Ti2Sb2O1,Ba-Sb-Ti-O,Ba16.667Sb33.333Ti33.333O16.666666666666668,P 4/m m m,tetragonal,4.113474,4.113474,8.312382,data/final/MP/cifs/Ba0.75Na0.25Sb2Ti2O1-MP-mp-1070806-synth_doped.cif,data/source/MP/raw/cifs/mp-1070806.cif,mp-1070806,0.0,,2018-03-22 04:02:04,5.8154485533321445,,,{'GGA': {'task_id': 'mp-1702174'}},0.0,5.89751533,520.0,-39.14932631,-6.524887718333333,{'tags': []},-39.14932631,-6.524887718333333,-1.5507346602777776,['bandstructure'],True,"[430061, 237789, 430060]",True,2021-05-12 10:58:14.654000,NM,6,16,mp-1070806,oxide,BaTi2Sb2O,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ti_pv', 'Sb', 'O'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Ti': 2.0, 'Sb': 2.0, 'O': 1.0}",GGA,mp-1070806,"['mp-1071055', 'mp-1071068', 'mp-1071083', 'mp-1071088', 'mp-1070806', 'mp-1071124', 'mp-1070846', 'mp-1070900', 'mp-1071137', 'mp-1423542', 'mp-1702174', 'mp-1785425', 'mp-1588663', 'mp-1070899', 'mp-1071129', 'mp-1071119']",0.001055,"{'Ba': 1.0, 'Ti': 2.0, 'Sb': 2.0, 'O': 1.0}",140.65105900950408,[],NM,False,123,0,"[0, 0, 0, 0, 0, 0]",7.500832254158225e-06,0.001055,0,0.001055,MP,data/source/MP/cleaned/cifs/MP-mp-1070806.cif,True,,data/final/MP/graphs/Ba0.75Na0.25Sb2Ti2O1-MP-mp-1070806-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ba0.47Bi1K0.53O3,3,0.0786666666666666,3.0,False,Ba1.41Bi3K1.59O9,Ba2Bi3K1O9,11.0,Oxide,True,Ba9.4Bi20K10.6O60,Ba-Bi-K-O,4,Supercon,Ba0.47K0.53Bi1O3,MP-mp-1223518,K1Ba2Bi3O9,Ba-Bi-K-O,Ba13.333Bi20K6.667O60,P -3 m 1,trigonal,6.18756400330999,6.187564340000001,7.581401,data/final/MP/cifs/Ba0.47Bi1K0.53O3-MP-mp-1223518-synth_doped.cif,data/source/MP/raw/cifs/mp-1223518.cif,mp-1223518,0.0,,2019-01-12 23:54:06.965000,7.16530091201999,,,{'GGA': {'task_id': 'mp-1729135'}},0.001551682833333,3.46143017,520.0,-85.22271396,-5.681514264,{'tags': []},-85.22271396,-5.681514264,-2.0170414252000004,[],False,[],True,2021-05-12 11:00:52.054000,NM,15,4,mp-1223518,oxide,KBa2(BiO3)3,"{'functional': 'PBE', 'labels': ['K_sv', 'Ba_sv', 'Bi', 'O'], 'pot_type': 'paw'}","{'K': 1.0, 'Ba': 2.0, 'Bi': 3.0, 'O': 9.0}",GGA,mp-1223518,"['mp-1223518', 'mp-1391182', 'mp-1729135', 'mp-1775199']",4.99e-05,"{'K': 1.0, 'Ba': 2.0, 'Bi': 3.0, 'O': 9.0}",251.37352739849624,[],NM,False,164,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.9850936777799505e-07,4.99e-05,0,4.99e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1223518.cif,True,,data/final/MP/graphs/Ba0.47Bi1K0.53O3-MP-mp-1223518-synth_doped.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
B4Rh4Sc0.75Th0.25,3,0.0555555555555555,2.0,False,B8Rh8Sc1.5Th0.5,B8Rh8Sc1Th1,8.74,Other,True,B44.444Rh44.444Sc8.333Th2.778,B-Rh-Sc-Th,4,Supercon,Sc0.75Th0.25Rh4B4,MP-mp-1217330,Th1Sc1B8Rh8,B-Rh-Sc-Th,B44.444Rh44.444Sc5.556Th5.556,P -4 m 2,tetragonal,5.350583,5.350583,7.514266,data/final/MP/cifs/B4Rh4Sc0.75Th0.25-MP-mp-1217330-synth_doped.cif,data/source/MP/raw/cifs/mp-1217330.cif,mp-1217330,0.0,,2019-01-12 18:41:05.850000,9.16032261389827,,,,0.0551931905277776,7.41430506,520.0,-136.05034043,-7.558352246111111,{'tags': []},-136.05034043,-7.558352246111111,-0.55302310824074,[],False,[],True,2021-05-12 11:00:40.103000,NM,18,3,mp-1217330,,ThSc(BRh)8,"{'functional': 'PBE', 'labels': ['Th', 'Sc_sv', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Th': 1.0, 'Sc': 1.0, 'B': 8.0, 'Rh': 8.0}",GGA,mp-1217330,"['mp-1217330', 'mp-1374481', 'mp-1786084']",0.0471726,"{'Th': 1.0, 'Sc': 1.0, 'B': 8.0, 'Rh': 8.0}",215.123955881751,[],NM,False,115,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.000219281017805,0.0471726,0,0.0471726,MP,data/source/MP/cleaned/cifs/MP-mp-1217330.cif,True,,data/final/MP/graphs/B4Rh4Sc0.75Th0.25-MP-mp-1217330-synth_doped.json,0,True,-42m,0,0,0,0,6,0,0,1,0,0,0,1.0,False
Er2Fe3Si5,1,0.0,4.0,False,Er8Fe12Si20,Er8Fe12Si20,0.465,Other,True,Er20Fe30Si50,Er-Fe-Si,3,Supercon,Er2Fe3Si5,MP-mp-680269,Er8Fe12Si20,Er-Fe-Si,Er20Fe30Si50,P 4/m n c,tetragonal,5.442615,10.325375,10.325375,data/final/MP/cifs/Er2Fe3Si5-MP-mp-680269.cif,data/source/MP/raw/cifs/mp-680269.cif,mp-680269,0.0,,2013-10-05 19:35:41,7.354442528673258,10.17188/1283572,"@misc{osti_1283572,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Er2Fe3Si5 (SG:128) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1283572"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1738784'}},0.0,7.41851004,520.0,-274.60510125,-6.865127531250001,{'tags': ['Erbium iron silicide (2/3/5)']},-274.60510125,-6.865127531250001,-0.6624242242500002,['xas'],False,"[53391, 53390, 57248, 630508]",True,2021-05-12 10:57:38.495000,NM,40,6,mp-680269,,Er2Fe3Si5,"{'functional': 'PBE', 'labels': ['Er_3', 'Fe_pv', 'Si'], 'pot_type': 'paw'}","{'Er': 2.0, 'Fe': 3.0, 'Si': 5.0}",GGA,mp-680269,"['mp-996518', 'mp-680269', 'mp-1156492', 'mp-1445811', 'mp-1738784', 'mp-1865967']",0.000866375,"{'Er': 8.0, 'Fe': 12.0, 'Si': 20.0}",580.2555207246489,[],NM,False,128,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, 0.0, -0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",5.972368855141833e-06,0.000866375,0,0.0034655,MP,data/source/MP/cleaned/cifs/MP-mp-680269.cif,False,,data/final/MP/graphs/Er2Fe3Si5-MP-mp-680269.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Si22.5V75,2,0.0384615384615384,0.08,False,Si1.8V6,Si2V6,16.1,Other,True,Si23.077V76.923,Si-V,2,Supercon,Si22.5V75,MP-mp-2567,V6Si2,Si-V,Si25V75,P m -3 n,cubic,4.702381,4.702381,4.702381,data/final/MP/cifs/Si22.5V75-MP-mp-2567-synth_doped.cif,data/source/MP/raw/cifs/mp-2567.cif,mp-2567,0.0,,2011-05-13 19:15:43,5.778142190030859,10.17188/1200874,"@misc{osti_1200874,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Si (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200874"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668672'}},0.0,7.30599425,520.0,-69.05773321,-8.63221665125,{'tags': ['Vanadium silicide (3/1)']},-69.05773321,-8.63221665125,-0.4452085937499994,"['xas', 'elasticity', 'bandstructure']",True,"[652491, 87328, 652522, 652502, 652510, 652520, 600518, 186003, 652507, 652513, 652497, 601150, 652514, 652487, 22412, 652509, 652529, 652532, 652499, 652539, 652537, 652533, 652512, 652538, 652490, 652493, 652494, 652511, 652519, 87329, 652526, 652500]",True,2021-05-12 10:56:18.721000,FM,8,13,mp-2567,,V3Si,"{'functional': 'PBE', 'labels': ['V_pv', 'Si'], 'pot_type': 'paw'}","{'V': 3.0, 'Si': 1.0}",GGA,mp-2567,"['mp-920081', 'mp-906309', 'mp-919083', 'mp-2567', 'mp-1078474', 'mp-1078852', 'mp-1138781', 'mp-1145907', 'mp-1440678', 'mp-1668672', 'mp-1795955', 'mp-1593554', 'mp-1596575']",0.8382519,"{'V': 6.0, 'Si': 2.0}",103.98086881866836,[],FM,True,131,1,"[0.2, 0.3, 0.3, 0.2, 0.3, 0.3, 0.0, 0.0]",0.0161231947669493,0.8382519,6,1.6765038,MP,data/source/MP/cleaned/cifs/MP-mp-2567.cif,True,,data/final/MP/graphs/Si22.5V75-MP-mp-2567-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ba1Ir2P2,1,0.0,1.0,True,Ba1Ir2P2,Ba1Ir2P2,2.1,Other,True,Ba20Ir40P40,Ba-Ir-P,3,Supercon,Ba1Ir2P2,MP-mp-11169,Ba1P2Ir2,Ba-Ir-P,Ba20Ir40P40,I 4/m m m,tetragonal,3.990730000373019,3.99073000037302,6.99095155,data/final/MP/cifs/Ba1Ir2P2-MP-mp-11169.cif,data/source/MP/raw/cifs/mp-11169.cif,mp-11169,0.0,,2011-05-27 23:38:16,9.515319226555592,10.17188/1187606,"@misc{osti_1187606,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba(PIr)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187606"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687948'}},0.0,6.95035675,520.0,-34.65309461,-6.930618921999999,{'tags': ['Barium diiridium(II) phosphide']},-34.65309461,-6.930618921999999,-0.8461315853333332,"['xas', 'elasticity', 'bandstructure']",True,[95757],True,2021-05-12 10:56:10.715000,NM,5,8,mp-11169,,Ba(PIr)2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'P', 'Ir'], 'pot_type': 'paw'}","{'Ba': 1.0, 'P': 2.0, 'Ir': 2.0}",GGA,mp-11169,"['mp-927992', 'mp-11169', 'mp-911890', 'mp-928565', 'mp-1300302', 'mp-1687948', 'mp-1796968', 'mp-1592183']",0.0016803,"{'Ba': 1.0, 'P': 2.0, 'Ir': 2.0}",101.86424485942187,[],NM,False,139,0,"[0, 0, 0, 0, 0]",1.6495483791382386e-05,0.0016803,0,0.0016803,MP,data/source/MP/cleaned/cifs/MP-mp-11169.cif,False,,data/final/MP/graphs/Ba1Ir2P2-MP-mp-11169.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
F0.08Fe1La1P1O0.92,2,0.0399999999999999,2.0,False,F0.16Fe2La2P2O1.84,Fe2La2P2O2,7.8,Ferrite,True,F2Fe25La25P25O23,F-Fe-La-P-O,5,Supercon,La1Fe1P1F0.08O0.92,MP-mp-510668,La2Fe2P2O2,Fe-La-P-O,Fe25La25P25O25,P 4/n m m,tetragonal,4.068879,4.068879,9.084981,data/final/MP/cifs/F0.08Fe1La1P1O0.92-MP-mp-510668-synth_doped.cif,data/source/MP/raw/cifs/mp-510668.cif,mp-510668,0.0,,2014-02-26 04:17:37,5.337337070142887,,,{'GGA+U': {'task_id': 'mp-1704083'}},0.3903949226041714,6.29241646,520.0,-55.52669053,-6.94083631625,{'tags': []},-55.52669053,-6.94083631625,-1.734766549583334,"['xas', 'bandstructure']",True,"[162724, 420381, 391428]",True,2021-05-12 10:57:15.388000,FM,8,7,mp-510668,oxide,LaFePO,"{'functional': 'PBE', 'labels': ['La', 'Fe_pv', 'P', 'O'], 'pot_type': 'paw'}","{'La': 1.0, 'Fe': 1.0, 'P': 1.0, 'O': 1.0}",GGA+U,mp-510668,"['mp-542977', 'mp-510668', 'mp-1422599', 'mp-1704083', 'mp-1768909', 'mp-1779846', 'mp-1595432']",3.95130975,"{'La': 2.0, 'Fe': 2.0, 'P': 2.0, 'O': 2.0}",150.40891327693348,[],FM,True,129,1,"[0.0, 0.0, 3.7, 3.7, 0.0, 0.0, 0.0, 0.0]",0.0525408988591631,3.95130975,2,7.9026195,MP,data/source/MP/cleaned/cifs/MP-mp-510668.cif,True,,data/final/MP/graphs/F0.08Fe1La1P1O0.92-MP-mp-510668-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Al0.96Ge0.04Nb3,2,0.02,2.0,False,Al1.92Ge0.08Nb6,Al2Nb6,19.8,Other,True,Al24Ge1Nb75,Al-Ge-Nb,3,Supercon,Nb3Al0.96Ge0.04,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al0.96Ge0.04Nb3-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al0.96Ge0.04Nb3-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Hf0.9Ti0.1V2,3,0.0666666666666666,2.0,False,Hf1.8Ti0.2V4,Hf2V4,9.19,Other,True,Hf30Ti3.333V66.667,Hf-Ti-V,3,Supercon,V2Hf0.9Ti0.1,MP-mp-1077017,Hf2V4,Hf-V,Hf33.333V66.667,I 41/a m d,tetragonal,5.147745850539648,5.14774585,5.14774585,data/final/MP/cifs/Hf0.9Ti0.1V2-MP-mp-1077017-synth_doped.cif,data/source/MP/raw/cifs/mp-1077017.cif,mp-1077017,0.0,,2018-04-07 18:44:03,9.47163160017764,,,{'GGA': {'task_id': 'mp-1759109'}},0.0337706083333326,5.06389256,520.0,-56.04737833,-9.341229721666666,{'tags': ['Hafnium vanadium (1/2)']},-56.04737833,-9.341229721666666,0.033770608333332,['bandstructure'],True,[187951],True,2021-05-12 10:58:14.654000,NM,6,5,mp-1077017,,HfV2,"{'functional': 'PBE', 'labels': ['Hf_pv', 'V_pv'], 'pot_type': 'paw'}","{'Hf': 1.0, 'V': 2.0}",GGA,mp-1077017,"['mp-1077017', 'mp-1391381', 'mp-1759109', 'mp-1796366', 'mp-1627385']",0.03458425,"{'Hf': 2.0, 'V': 4.0}",98.30836742237948,[],NM,False,141,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0007035871087434,0.03458425,0,0.0691685,MP,data/source/MP/cleaned/cifs/MP-mp-1077017.cif,True,,data/final/MP/graphs/Hf0.9Ti0.1V2-MP-mp-1077017-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2C1Dy1Ni2,1,0.0,1.0,True,B2C1Dy1Ni2,B2C1Dy1Ni2,5.033571429,Other,True,B33.333C16.667Dy16.667Ni33.333,B-C-Dy-Ni,4,Supercon,Dy1Ni2B2C1,MP-mp-6223,Dy1Ni2B2C1,B-C-Dy-Ni,B33.333C16.667Dy16.667Ni33.333,I 4/m m m,tetragonal,3.5485979995620824,3.548597999562083,5.74460959,data/final/MP/cifs/B2C1Dy1Ni2-MP-mp-6223.cif,data/source/MP/raw/cifs/mp-6223.cif,mp-6223,0.0,,2011-05-13 04:15:09,8.00036369104547,10.17188/1278123,"@misc{osti_1278123,
    author = ""Persson, Kristin"",
    title = ""Materials Data on DyNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278123"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687390'}},0.0,6.75219219,520.0,-41.84976027,-6.974960045,{'tags': []},-41.84976027,-6.974960045,-0.5161893047222215,"['xas', 'elasticity', 'bandstructure']",True,"[56596, 56593, 56595, 79573, 56649, 56594]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6223,,DyNi2B2C,"{'functional': 'PBE', 'labels': ['Dy_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Dy': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6223,"['mp-1007344', 'mp-1000899', 'mp-6223', 'mp-1439353', 'mp-1687390', 'mp-1795426', 'mp-1012086', 'mp-1593735']",0.004911,"{'Dy': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",65.07346390684725,[],NM,False,139,0,"[0.0, -0.0, -0.0, 0.0, 0.0, 0.0]",7.546855054512086e-05,0.004911,0,0.004911,MP,data/source/MP/cleaned/cifs/MP-mp-6223.cif,False,,data/final/MP/graphs/B2C1Dy1Ni2-MP-mp-6223.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B4Ru4Tb1,1,0.0,4.0,False,B16Ru16Tb4,B16Ru16Tb4,0.0,Other,True,B44.444Ru44.444Tb11.111,B-Ru-Tb,3,Supercon,Tb1Ru4B4,MP-mp-1199943,Tb4B16Ru16,B-Ru-Tb,B44.444Ru44.444Tb11.111,I 41/a c d,tetragonal,7.493902002601051,7.49390200260105,9.19092762,data/final/MP/cifs/B4Ru4Tb1-MP-mp-1199943.cif,data/source/MP/raw/cifs/mp-1199943.cif,mp-1199943,0.0,,2019-01-12 04:26:43.694000,9.551501924613143,,,{'GGA': {'task_id': 'mp-1744378'}},0.0,7.00318067,520.0,-291.60581603,-8.10016155638889,{'tags': ['Terbium ruthenium boride (1/4/4)']},-291.60581603,-8.10016155638889,-0.4946624671296307,[],False,[615375],True,2021-05-12 11:00:08.243000,NM,36,4,mp-1199943,,Tb(BRu)4,"{'functional': 'PBE', 'labels': ['Tb_3', 'B', 'Ru_pv'], 'pot_type': 'paw'}","{'Tb': 1.0, 'B': 4.0, 'Ru': 4.0}",GGA,mp-1199943,"['mp-1199943', 'mp-1404832', 'mp-1744378', 'mp-1817271']",0.00011945,"{'Tb': 4.0, 'B': 16.0, 'Ru': 16.0}",421.7275337585041,[],NM,False,142,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.132958988334883e-06,0.00011945,0,0.0004778,MP,data/source/MP/cleaned/cifs/MP-mp-1199943.cif,False,,data/final/MP/graphs/B4Ru4Tb1-MP-mp-1199943.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu2Gd0.82Nd0.18Ru1Sr2O8,3,0.0257142857142857,2.0,False,Cu4Gd1.64Nd0.36Ru2Sr4O16,Cu4Gd2Ru2Sr4O16,21.0,Cuprate,True,Cu14.286Gd5.857Nd1.286Ru7.143Sr14.286O57.142857142857146,Cu-Gd-Nd-Ru-Sr-O,6,Supercon,Ru1Sr2Gd0.82Nd0.18Cu2O8,MP-mp-1194240,Sr4Gd2Cu4Ru2O16,Cu-Gd-Ru-Sr-O,Cu14.286Gd7.143Ru7.143Sr14.286O57.142857142857146,P 4/m b m,tetragonal,5.472451,5.472451,11.740702,data/final/MP/cifs/Cu2Gd0.82Nd0.18Ru1Sr2O8-MP-mp-1194240-synth_doped.cif,data/source/MP/raw/cifs/mp-1194240.cif,mp-1194240,0.0,,2019-01-11 23:51:58.932000,6.504561898971391,,,{'GGA': {'task_id': 'mp-1765260'}},0.0213449239285443,3.93502801,520.0,-201.55352223,-7.198340079642857,"{'tags': ['Sr2Cu2GdRuO8 orth', 'Sr2Cu2GdRuO8', 'Ruthenium distrontium gadolinium dicopper octaoxide']}",-201.55352223,-7.198340079642857,-2.268654352380952,['bandstructure'],True,[245741],True,2021-05-12 10:58:35.561000,FiM,28,6,mp-1194240,oxide,Sr2GdCu2RuO8,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Gd', 'Cu_pv', 'Ru_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Gd': 1.0, 'Cu': 2.0, 'Ru': 1.0, 'O': 8.0}",GGA,mp-1194240,"['mp-1194240', 'mp-1396976', 'mp-1659973', 'mp-1765260', 'mp-1841948', 'mp-1638264']",4.23696715,"{'Sr': 4.0, 'Gd': 2.0, 'Cu': 4.0, 'Ru': 2.0, 'O': 16.0}",351.6072554818909,[],FiM,True,127,2,"[-0.0, -0.0, -0.0, -0.0, 6.9, 6.9, 0.0, 0.0, 0.0, 0.0, -1.8, -1.8, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0241005672319991,4.23696715,4,8.4739343,MP,data/source/MP/cleaned/cifs/MP-mp-1194240.cif,True,,data/final/MP/graphs/Cu2Gd0.82Nd0.18Ru1Sr2O8-MP-mp-1194240-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Nb3Rh0.9Ru0.1,2,0.0499999999999999,2.0,False,Nb6Rh1.8Ru0.2,Nb6Rh2,2.44,Other,True,Nb75Rh22.5Ru2.5,Nb-Rh-Ru,3,Supercon,Nb3Rh0.9Ru0.1,MP-mp-1545,Nb6Rh2,Nb-Rh,Nb75Rh25,P m -3 n,cubic,5.186072,5.186072,5.186072,data/final/MP/cifs/Nb3Rh0.9Ru0.1-MP-mp-1545-synth_doped.cif,data/source/MP/raw/cifs/mp-1545.cif,mp-1545,0.0,,2011-05-14 11:20:25,9.086567873234834,10.17188/1191190,"@misc{osti_1191190,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Rh (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191190"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700041'}},0.0,5.48706495,520.0,-77.37430008,-9.67178751,{'tags': ['Niobium rhodium (3/1)']},-77.37430008,-9.67178751,-0.2547317625000005,"['xas', 'elasticity', 'bandstructure']",True,"[105216, 645269]",True,2021-05-12 10:56:12.755000,NM,8,8,mp-1545,,Nb3Rh,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Rh_pv'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Rh': 1.0}",GGA,mp-1545,"['mp-942004', 'mp-943019', 'mp-935201', 'mp-1545', 'mp-1433570', 'mp-1700041', 'mp-1786474', 'mp-1591392']",0.00021655,"{'Nb': 6.0, 'Rh': 2.0}",139.48118416938905,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",3.1050783127424102e-06,0.00021655,0,0.0004331,MP,data/source/MP/cleaned/cifs/MP-mp-1545.cif,True,,data/final/MP/graphs/Nb3Rh0.9Ru0.1-MP-mp-1545-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
C1Nb2Sn1,1,0.0,2.0,False,C2Nb4Sn2,C2Nb4Sn2,1.9666666665,Other,True,C25Nb50Sn25,C-Nb-Sn,3,Supercon,Nb2Sn1C1,MP-mp-5443,Nb4Sn2C2,C-Nb-Sn,C25Nb50Sn25,P 63/m m c,hexagonal,3.2813080043954286,3.28130793,13.871345,data/final/MP/cifs/C1Nb2Sn1-MP-mp-5443.cif,data/source/MP/raw/cifs/mp-5443.cif,mp-5443,0.0,,2011-05-13 23:45:56,8.127472925714718,10.17188/1266979,"@misc{osti_1266979,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb2SnC (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1266979"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688387'}},0.0,7.81797082,520.0,-70.18215009,-8.77276876125,"{'tags': ['Niobium tin carbide (2/1/1)', 'High pressure experimental phase']}",-70.18215009,-8.77276876125,-0.4130281024999984,"['xas', 'elasticity', 'bandstructure']",True,"[161069, 161070, 180618, 161071, 618496]",True,2021-05-12 10:56:22.739000,NM,8,8,mp-5443,,Nb2SnC,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Sn_d', 'C'], 'pot_type': 'paw'}","{'Nb': 2.0, 'Sn': 1.0, 'C': 1.0}",GGA,mp-5443,"['mp-919993', 'mp-918997', 'mp-906164', 'mp-5443', 'mp-1300257', 'mp-1688387', 'mp-1921580', 'mp-1586311']",0.00014215,"{'Nb': 4.0, 'Sn': 2.0, 'C': 2.0}",129.34307650611987,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.198030290291946e-06,0.00014215,0,0.0002843,MP,data/source/MP/cleaned/cifs/MP-mp-5443.cif,False,,data/final/MP/graphs/C1Nb2Sn1-MP-mp-5443.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Al0.66Ge0.34Nb3,3,0.08,2.0,False,Al1.32Ge0.68Nb6,Al1Ge1Nb6,20.4,Other,True,Al16.5Ge8.5Nb75,Al-Ge-Nb,3,Supercon,Nb3Al0.66Ge0.34,MP-mp-1220344,Nb6Al1Ge1,Al-Ge-Nb,Al12.5Ge12.5Nb75,P m -3,cubic,5.193789,5.193789,5.193789,data/final/MP/cifs/Al0.66Ge0.34Nb3-MP-mp-1220344-synth_doped.cif,data/source/MP/raw/cifs/mp-1220344.cif,mp-1220344,0.0,,2019-01-12 21:12:22.670000,7.787554520755366,,,{'GGA': {'task_id': 'mp-1754189'}},0.0456705447083347,5.7081774,520.0,-70.77042247,-8.84630280875,{'tags': []},-70.77042247,-8.84630280875,-0.2242485681249988,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,8,5,mp-1220344,,Nb6AlGe,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al', 'Ge_d'], 'pot_type': 'paw'}","{'Nb': 6.0, 'Al': 1.0, 'Ge': 1.0}",GGA,mp-1220344,"['mp-1220344', 'mp-1388432', 'mp-1754189', 'mp-1925908', 'mp-1619029']",0.0004952,"{'Nb': 6.0, 'Al': 1.0, 'Ge': 1.0}",140.10476523412882,[],NM,False,200,0,"[0, 0, 0, 0, 0, 0, 0, 0]",3.534497910706122e-06,0.0004952,0,0.0004952,MP,data/source/MP/cleaned/cifs/MP-mp-1220344.cif,True,,data/final/MP/graphs/Al0.66Ge0.34Nb3-MP-mp-1220344-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,1,0,0,0,1.0,False
U1O2,1,0.0,1.0,True,U1O2,U1O2,0.0,OxideHeavy_fermion,False,U33.333O66.66666666666667,U-O,2,Supercon,O2U1,MP-mp-1597,U1O2,U-O,U33.333O66.66666666666667,F m -3 m,cubic,3.83276341,3.83276341,3.83276341,data/final/MP/cifs/U1O2-MP-mp-1597.cif,data/source/MP/raw/cifs/mp-1597.cif,mp-1597,0.0,,2011-05-12 19:50:34,11.262541186565189,10.17188/1191479,"@misc{osti_1191479,
    author = ""Persson, Kristin"",
    title = ""Materials Data on UO2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191479"",
    place = ""United States"",
    year = ""2015"",
    month = ""1"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672616'}},0.0,10.05450051,520.0,-31.06466474,-10.354888246666668,"{'tags': ['Uranium oxide (2/5)', 'Uranium oxide', 'Uranium(IV) oxide', 'Uraninite', 'High pressure experimental phase', 'Uranium dioxide', 'Uraninite C']}",-31.06466474,-10.354888246666668,-3.75044424,"['xas', 'elasticity', 'bandstructure']",True,"[29136, 24224, 61636, 29085, 29086, 29090, 183126, 647597, 29088, 647600, 647590, 185080, 647594, 29089, 647592, 160813, 160815, 28767, 61565, 24850, 647583, 160814, 56005, 168164, 647595, 77700, 77701, 35204, 246851]",True,2021-05-12 10:56:12.755000,FM,3,20,mp-1597,oxide,UO2,"{'functional': 'PBE', 'labels': ['U', 'O'], 'pot_type': 'paw'}","{'U': 1.0, 'O': 2.0}",GGA,mp-1597,"['mp-604467', 'mp-685147', 'mp-919977', 'mp-906138', 'mp-918972', 'mp-1597', 'mp-21123', 'mp-1062373', 'mp-1062394', 'mp-1062433', 'mp-1062741', 'mp-1062828', 'mp-1062761', 'mp-1299950', 'mp-1672616', 'mp-1794806', 'mp-1594259', 'mp-1591113', 'mp-1062823', 'mp-1062429']",2.001169,"{'U': 1.0, 'O': 2.0}",39.8126456624559,[],FM,True,225,1,"[2.0, -0.0, -0.0]",0.0502646575403839,2.001169,1,2.001169,MP,data/source/MP/cleaned/cifs/MP-mp-1597.cif,False,,data/final/MP/graphs/U1O2-MP-mp-1597.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
B2C1Dy0.8Ni2Tm0.2,3,0.0666666666666666,1.0,True,B2C1Dy0.8Ni2Tm0.2,B2C1Dy1Ni2,3.42,Other,True,B33.333C16.667Dy13.333Ni33.333Tm3.333,B-C-Dy-Ni-Tm,5,Supercon,Dy0.8Tm0.2Ni2B2C1,MP-mp-6223,Dy1Ni2B2C1,B-C-Dy-Ni,B33.333C16.667Dy16.667Ni33.333,I 4/m m m,tetragonal,3.5485979995620824,3.548597999562083,5.74460959,data/final/MP/cifs/B2C1Dy0.8Ni2Tm0.2-MP-mp-6223-synth_doped.cif,data/source/MP/raw/cifs/mp-6223.cif,mp-6223,0.0,,2011-05-13 04:15:09,8.00036369104547,10.17188/1278123,"@misc{osti_1278123,
    author = ""Persson, Kristin"",
    title = ""Materials Data on DyNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278123"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687390'}},0.0,6.75219219,520.0,-41.84976027,-6.974960045,{'tags': []},-41.84976027,-6.974960045,-0.5161893047222215,"['xas', 'elasticity', 'bandstructure']",True,"[56596, 56593, 56595, 79573, 56649, 56594]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6223,,DyNi2B2C,"{'functional': 'PBE', 'labels': ['Dy_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Dy': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6223,"['mp-1007344', 'mp-1000899', 'mp-6223', 'mp-1439353', 'mp-1687390', 'mp-1795426', 'mp-1012086', 'mp-1593735']",0.004911,"{'Dy': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",65.07346390684725,[],NM,False,139,0,"[0.0, -0.0, -0.0, 0.0, 0.0, 0.0]",7.546855054512086e-05,0.004911,0,0.004911,MP,data/source/MP/cleaned/cifs/MP-mp-6223.cif,True,,data/final/MP/graphs/B2C1Dy0.8Ni2Tm0.2-MP-mp-6223-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Mo6Rb2Se6,1,0.0,1.0,True,Mo6Rb2Se6,Mo6Rb2Se6,0.0,Chevrel,True,Mo42.857Rb14.286Se42.857,Mo-Rb-Se,3,Supercon,Rb2Mo6Se6,MP-mp-1103685,Rb2Mo6Se6,Mo-Rb-Se,Mo42.857Rb14.286Se42.857,P 63/m,hexagonal,4.537061,9.45933999695451,9.45934022,data/final/MP/cifs/Mo6Rb2Se6-MP-mp-1103685.cif,data/source/MP/raw/cifs/mp-1103685.cif,mp-1103685,0.5141,,2018-07-18 19:06:08,5.763701001291722,,,{'GGA': {'task_id': 'mp-1670094'}},0.0,4.06451995,520.0,-98.02668223,-7.001905873571429,"{'tags': ['Rubidium molybdenum(I/II) selenide (1/3/3)', 'Rubidium molybdenum selenide (1/3/3)', 'TlFe3Te3', 'RbMo3Se3', 'Chevrel phase']}",-98.02668223,-7.001905873571429,-0.917734788504464,['bandstructure'],True,"[644181, 604516, 603629]",True,2021-05-12 10:58:20.361000,NM,14,7,mp-1103685,,Rb(MoSe)3,"{'functional': 'PBE', 'labels': ['Rb_sv', 'Mo_pv', 'Se'], 'pot_type': 'paw'}","{'Rb': 1.0, 'Mo': 3.0, 'Se': 3.0}",GGA,mp-1103685,"['mp-1103685', 'mp-1105111', 'mp-1186830', 'mp-1421319', 'mp-1670094', 'mp-1840599', 'mp-1598301']",0.00041675,"{'Rb': 2.0, 'Mo': 6.0, 'Se': 6.0}",351.58224510754536,[],NM,False,176,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.3707112961436406e-06,0.00041675,0,0.0008335,MP,data/source/MP/cleaned/cifs/MP-mp-1103685.cif,False,,data/final/MP/graphs/Mo6Rb2Se6-MP-mp-1103685.json,0,True,6/m,0,3,0,0,0,0,0,1,0,0,0,1.0,False
N6Nb5,1,0.0,2.0,False,N12Nb10,N12Nb10,0.0,Other,True,N54.545Nb45.455,N-Nb,2,Supercon,N6Nb5,MP-mp-7234,Nb10N12,N-Nb,N54.545Nb45.455,P 63/m c m,hexagonal,5.260569997530929,5.26057064,10.474606,data/final/MP/cifs/N6Nb5-MP-mp-7234.cif,data/source/MP/raw/cifs/mp-7234.cif,mp-7234,0.0,,2011-06-08 02:55:45,7.257362272865128,10.17188/1287601,"@misc{osti_1287601,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb5N6 (SG:193) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1287601"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1673988'}},0.0,6.93814895,520.0,-223.28112807,-10.149142185,{'tags': ['Niobium nitride (5/6)']},-223.28112807,-10.149142185,-1.207369934999999,['bandstructure'],True,[26252],True,2021-05-12 10:58:55.498000,NM,22,8,mp-7234,,Nb5N6,"{'functional': 'PBE', 'labels': ['Nb_pv', 'N'], 'pot_type': 'paw'}","{'Nb': 5.0, 'N': 6.0}",GGA,mp-7234,"['mp-930705', 'mp-7234', 'mp-913955', 'mp-1436023', 'mp-1673988', 'mp-1774482', 'mp-977676', 'mp-1607305']",0.00955485,"{'Nb': 10.0, 'N': 12.0}",251.0348439687794,[],NM,False,193,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",7.612369541168806e-05,0.00955485,0,0.0191097,MP,data/source/MP/cleaned/cifs/MP-mp-7234.cif,False,,data/final/MP/graphs/N6Nb5-MP-mp-7234.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
C1Mo0.1W0.9,3,0.0999999999999999,1.0,True,C1Mo0.1W0.9,C1W1,9.0,Other,True,C50Mo5W45,C-Mo-W,3,Supercon,Mo0.1W0.9C1,MP-mp-1894,W1C1,C-W,C50W50,P -6 m 2,hexagonal,2.852907,2.9283199959743635,2.92832042,data/final/MP/cifs/C1Mo0.1W0.9-MP-mp-1894-synth_doped.cif,data/source/MP/raw/cifs/mp-1894.cif,mp-1894,0.0,,2011-05-12 17:47:36,15.350369295511475,10.17188/1193675,"@misc{osti_1193675,
    author = ""Persson, Kristin"",
    title = ""Materials Data on WC (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1193675"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668674'}},0.0,7.78064382,520.0,-22.43019027,-11.215095135,"{'tags': ['Tungsten carbide (1/1) - h', 'Qusongite', 'Tungsten carbide (1/1)', 'Tungsten carbide - h', 'High pressure experimental phase', 'Tungsten carbide']}",-22.43019027,-11.215095135,-0.1226415499999991,"['xas', 'elasticity', 'bandstructure']",True,"[5212, 290352, 246151, 165099, 246149, 22258, 162416, 167895, 619091, 43380, 260168, 15406, 77566, 619090, 619096, 260171, 169401, 260166, 246150, 619088]",True,2021-05-12 10:56:14.760000,NM,2,18,mp-1894,,WC,"{'functional': 'PBE', 'labels': ['W_pv', 'C'], 'pot_type': 'paw'}","{'W': 1.0, 'C': 1.0}",GGA,mp-1894,"['mp-906287', 'mp-920052', 'mp-919065', 'mp-1894', 'mp-1056906', 'mp-1056929', 'mp-1056966', 'mp-1057325', 'mp-1057365', 'mp-1057304', 'mp-1115952', 'mp-1441004', 'mp-1668674', 'mp-1923176', 'mp-1590542', 'mp-1589375', 'mp-1056943', 'mp-1057342']",5.59e-05,"{'W': 1.0, 'C': 1.0}",21.18631365214464,[],NM,False,187,0,"[0, 0]",2.638495819415068e-06,5.59e-05,0,5.59e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1894.cif,True,,data/final/MP/graphs/C1Mo0.1W0.9-MP-mp-1894-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Ba1Sn3,1,0.0,2.0,False,Ba2Sn6,Ba2Sn6,4.3,Other,True,Ba25Sn75,Ba-Sn,2,Supercon,Ba1Sn3,MP-mp-7759,Ba2Sn6,Ba-Sn,Ba25Sn75,P 63/m m c,hexagonal,5.667092,7.325355995489814,7.32535566,data/final/MP/cifs/Ba1Sn3-MP-mp-7759.cif,data/source/MP/raw/cifs/mp-7759.cif,mp-7759,0.0,,2011-06-02 11:38:10,6.222717252207097,10.17188/1303776,"@misc{osti_1303776,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BaSn3 (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1303776"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702317'}},0.0,5.80829364,520.0,-31.44075631,-3.93009453875,{'tags': ['Barium stannide (1/3)']},-31.44075631,-3.93009453875,-0.4431729400000006,"['xas', 'bandstructure']",True,[189957],True,2021-05-12 10:57:46.064000,NM,8,9,mp-7759,,BaSn3,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Sn_d'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Sn': 3.0}",GGA,mp-7759,"['mp-7759', 'mp-914152', 'mp-990771', 'mp-930796', 'mp-1079469', 'mp-1431090', 'mp-1702317', 'mp-1925282', 'mp-1608647']",0.0006586,"{'Ba': 2.0, 'Sn': 6.0}",263.3591059907492,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",5.001535811889749e-06,0.0006586,0,0.0013172,MP,data/source/MP/cleaned/cifs/MP-mp-7759.cif,False,,data/final/MP/graphs/Ba1Sn3-MP-mp-7759.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As1Fe1Sm0.9Th0.1O1,2,0.0499999999999999,2.0,False,As2Fe2Sm1.8Th0.2O2,As2Fe2Sm2O2,51.4,Ferrite,True,As25Fe25Sm22.5Th2.5O25,As-Fe-Sm-Th-O,5,Supercon,Sm0.9Th0.1Fe1As1O1,MP-mp-20349,Sm2Fe2As2O2,As-Fe-Sm-O,As25Fe25Sm25O25,P 4/n m m,tetragonal,4.026492,4.026492,9.046755,data/final/MP/cifs/As1Fe1Sm0.9Th0.1O1-MP-mp-20349-synth_doped.cif,data/source/MP/raw/cifs/mp-20349.cif,mp-20349,0.0,,2014-02-19 11:24:42,6.727802583283198,,,{'GGA+U': {'task_id': 'mp-1695938'}},0.3015723809374986,3.77685593,520.0,-52.73407138,-6.5917589225,{'tags': ['Samarium iron arsenic oxide (1/1/1/1)']},-52.73407138,-6.5917589225,-1.6285904237499995,"['xas', 'elasticity', 'bandstructure']",True,"[236652, 236653, 422002, 163457, 163458]",True,2021-05-12 10:56:16.728000,FM,8,10,mp-20349,oxide,SmFeAsO,"{'functional': 'PBE', 'labels': ['Sm_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sm': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-20349,"['mp-24944', 'mp-1078897', 'mp-1079866', 'mp-1173321', 'mp-20349', 'mp-1425472', 'mp-1695938', 'mp-1772503', 'mp-1789694', 'mp-1588381']",3.75729895,"{'Sm': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",146.67176231613362,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, -0.0, -0.0, -0.0, -0.0]",0.0512341147425717,3.75729895,2,7.5145979,MP,data/source/MP/cleaned/cifs/MP-mp-20349.cif,True,,data/final/MP/graphs/As1Fe1Sm0.9Th0.1O1-MP-mp-20349-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ce0.97La0.03Pt3Si1,2,0.012,1.0,True,Ce0.97La0.03Pt3Si1,Ce1Pt3Si1,0.0,Heavy_fermion,True,Ce19.4La0.6Pt60Si20,Ce-La-Pt-Si,4,Supercon,Ce0.97La0.03Pt3Si1,MP-mp-1207119,Ce1Si1Pt3,Ce-Pt-Si,Ce20Pt60Si20,P 4 m m,tetragonal,4.067884,4.067884,5.552623,data/final/MP/cifs/Ce0.97La0.03Pt3Si1-MP-mp-1207119-synth_doped.cif,data/source/MP/raw/cifs/mp-1207119.cif,mp-1207119,0.0,,2019-01-12 10:17:34.047000,13.616649050512317,,,,0.0,7.99187805,520.0,-34.84666915,-6.969333829999999,"{'tags': ['CePt3Si', 'CePt3B']}",-34.84666915,-6.969333829999999,-1.0409085689999995,[],False,[],True,2021-05-12 11:00:19.396000,NM,5,2,mp-1207119,,CeSiPt3,"{'functional': 'PBE', 'labels': ['Ce', 'Si', 'Pt'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Si': 1.0, 'Pt': 3.0}",GGA,mp-1207119,"['mp-1207119', 'mp-1923489']",0.0099182,"{'Ce': 1.0, 'Si': 1.0, 'Pt': 3.0}",91.88302988314366,[],NM,False,99,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",0.0001079437629844,0.0099182,0,0.0099182,MP,data/source/MP/cleaned/cifs/MP-mp-1207119.cif,True,,data/final/MP/graphs/Ce0.97La0.03Pt3Si1-MP-mp-1207119-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,1,0,0,0,1.0,False
Al0.8Nb3Sn0.2,3,0.15,2.0,False,Al1.6Nb6Sn0.4,Al1Nb6Sn1,14.6,Other,True,Al20Nb75Sn5,Al-Nb-Sn,3,Supercon,Nb3Sn0.2Al0.8,MP-mp-1220362,Nb6Al1Sn1,Al-Nb-Sn,Al12.5Nb75Sn12.5,P m -3,cubic,5.271766,5.271766,5.271766,data/final/MP/cifs/Al0.8Nb3Sn0.2-MP-mp-1220362-synth_doped.cif,data/source/MP/raw/cifs/mp-1220362.cif,mp-1220362,0.0,,2019-01-12 21:13:16.743000,7.969227759613809,,,{'GGA': {'task_id': 'mp-1729666'}},0.0333399244999998,6.10276458,520.0,-69.63111786,-8.7038897325,{'tags': []},-69.63111786,-8.7038897325,-0.1585174918749992,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,8,5,mp-1220362,,Nb6AlSn,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al', 'Sn_d'], 'pot_type': 'paw'}","{'Nb': 6.0, 'Al': 1.0, 'Sn': 1.0}",GGA,mp-1220362,"['mp-1220362', 'mp-1393884', 'mp-1729666', 'mp-1779724', 'mp-1620242']",0.0883244,"{'Nb': 6.0, 'Al': 1.0, 'Sn': 1.0}",146.51037313724012,[],NM,False,200,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0006028542423904,0.0883244,0,0.0883244,MP,data/source/MP/cleaned/cifs/MP-mp-1220362.cif,True,,data/final/MP/graphs/Al0.8Nb3Sn0.2-MP-mp-1220362-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,1,0,0,0,1.0,False
Al0.956Nb3Si0.044,2,0.022,2.0,False,Al1.912Nb6Si0.088,Al2Nb6,18.5,Other,True,Al23.9Nb75Si1.1,Al-Nb-Si,3,Supercon,Nb3Al0.956Si0.044,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al0.956Nb3Si0.044-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al0.956Nb3Si0.044-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B2C1Er1Ni2,1,0.0,1.0,True,B2C1Er1Ni2,B2C1Er1Ni2,10.2329166665,Other,True,B33.333C16.667Er16.667Ni33.333,B-C-Er-Ni,4,Supercon,Er1Ni2B2C,MP-mp-6098,Er1Ni2B2C1,B-C-Er-Ni,B33.333C16.667Er16.667Ni33.333,I 4/m m m,tetragonal,3.5122880026935177,3.5122880026935173,5.77805085,data/final/MP/cifs/B2C1Er1Ni2-MP-mp-6098.cif,data/source/MP/raw/cifs/mp-6098.cif,mp-6098,0.0,,2011-05-13 04:24:02,8.212015229638553,10.17188/1277667,"@misc{osti_1277667,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ErNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277667"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700042'}},0.0,6.72687579,520.0,-41.84324782,-6.973874636666667,{'tags': []},-41.84324782,-6.973874636666667,-0.5216152347222227,"['xas', 'elasticity', 'bandstructure']",True,"[246431, 79576, 56651]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6098,,ErNi2B2C,"{'functional': 'PBE', 'labels': ['Er_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Er': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6098,"['mp-1006980', 'mp-1000513', 'mp-6098', 'mp-1441533', 'mp-1700042', 'mp-1793903', 'mp-1011723', 'mp-1589040']",0.0020747,"{'Er': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",64.35860973581151,[],NM,False,139,0,"[0.0, -0.0, -0.0, 0.0, 0.0, 0.0]",3.2236557136900987e-05,0.0020747,0,0.0020747,MP,data/source/MP/cleaned/cifs/MP-mp-6098.cif,False,,data/final/MP/graphs/B2C1Er1Ni2-MP-mp-6098.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Te1,1,0.0,3.0,False,Te3,Te3,3.94125,Other,True,Te100,Te,1,Supercon,Te1,MP-mp-19,Te3,Te,Te100,P 31 2 1,trigonal,4.512374000542224,4.512374420000001,5.959899,data/final/MP/cifs/Te1-MP-mp-19.cif,data/source/MP/raw/cifs/mp-19.cif,mp-19,0.5751999999999997,,2011-05-12 18:12:51,6.0484105835889945,10.17188/1193780,"@misc{osti_1193780,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Te (SG:152) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1193780"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668629'}},0.0,5.45551756,520.0,-9.42990279,-3.14330093,"{'tags': ['Tellurium', 'High pressure experimental phase']}",-9.42990279,-3.14330093,0.0,"['surfaces', 'piezo', 'eos', 'xas', 'bandstructure', 'diel', 'elasticity']",True,"[40008, 426980, 653045, 40042, 23065, 653047, 161690, 23067, 23059, 65692, 23060, 96502, 76150, 23058, 23062, 23061, 23066, 23064, 40041, 23063]",True,2021-05-12 10:56:14.760000,NM,3,22,mp-19,,Te,"{'functional': 'PBE', 'labels': ['Te'], 'pot_type': 'paw'}",{'Te': 1.0},GGA,mp-19,"['mp-920017', 'mp-919016', 'mp-906212', 'mp-19', 'mp-567367', 'mp-1061888', 'mp-1061917', 'mp-1061880', 'mp-1061969', 'mp-1061987', 'mp-1062011', 'mp-1062278', 'mp-1062240', 'mp-1062254', 'mp-1114745', 'mp-1440857', 'mp-1668629', 'mp-1594540', 'mp-1593472', 'mp-1062004', 'mp-1061907', 'mp-1062271']",0.0,{'Te': 3.0},105.09444521163717,[],NM,False,152,0,"[0, 0, 0]",0.0,0.0,0,0.0,MP,data/source/MP/cleaned/cifs/MP-mp-19.cif,False,,data/final/MP/graphs/Te1-MP-mp-19.json,0,True,32,0,0,0,0,0,0,4,1,0,0,0,0.5,False
Nb1Se2.2,2,0.0416666666666667,0.9090454545454544,True,Nb0.909Se2,Nb1Se2,6.675,Other,True,Nb31.25Se68.75,Nb-Se,2,Supercon,Nb1Se2.2,MP-mp-7597,Nb1Se2,Nb-Se,Nb33.333Se66.667,R 3 m,trigonal,3.4914536752070835,3.4914536752070835,7.25321124,data/final/MP/cifs/Nb1Se2.2-MP-mp-7597-synth_doped.cif,data/source/MP/raw/cifs/mp-7597.cif,mp-7597,0.0,,2011-05-27 18:52:07,5.662443416006388,10.17188/1291472,"@misc{osti_1291472,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NbSe2 (SG:160) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1291472"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1766549'}},0.0009491108333339,2.92706516,520.0,-19.61429361,-6.5380978700000005,{'tags': []},-19.61429361,-6.5380978700000005,-1.1550552048958334,"['bandstructure', 'elasticity']",True,[],True,2021-05-12 10:56:29.056000,FM,3,8,mp-7597,,NbSe2,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Se'], 'pot_type': 'paw'}","{'Nb': 1.0, 'Se': 2.0}",GGA,mp-7597,"['mp-1007199', 'mp-7597', 'mp-1000745', 'mp-1431972', 'mp-1766549', 'mp-1801053', 'mp-1011938', 'mp-1609666']",0.8409451,"{'Nb': 1.0, 'Se': 2.0}",73.55605563253667,[],FM,True,160,1,"[0.6, 0.0, 0.0]",0.0114327106418144,0.8409451,1,0.8409451,MP,data/source/MP/cleaned/cifs/MP-mp-7597.cif,True,,data/final/MP/graphs/Nb1Se2.2-MP-mp-7597-synth_doped.json,0,True,3m,0,0,0,0,0,0,5,1,0,0,0,1.0,False
Ca0.8Cu2Sr2Tl1Y0.2O7,3,0.0307692307692307,1.0,True,Ca0.8Cu2Sr2Tl1Y0.2O7,Ca1Cu2Sr2Tl1O7,52.75,Cuprate,True,Ca6.154Cu15.385Sr15.385Tl7.692Y1.538O53.84615384615385,Ca-Cu-Sr-Tl-Y-O,6,Supercon,Tl1Sr2Ca0.8Y0.2Cu2O7,MP-mp-20824,Sr2Ca1Tl1Cu2O7,Ca-Cu-Sr-Tl-O,Ca7.692Cu15.385Sr15.385Tl7.692O53.84615384615385,P 4/m m m,tetragonal,3.781958,3.781958,12.290585,data/final/MP/cifs/Ca0.8Cu2Sr2Tl1Y0.2O7-MP-mp-20824-synth_doped.cif,data/source/MP/raw/cifs/mp-20824.cif,mp-20824,0.0,,2014-02-22 14:11:23,6.222853038840967,10.17188/1196027,"@misc{osti_1196027,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr2CaTlCu2O7 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196027"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701359'}},0.0167020139423028,3.36479313,520.0,-72.36482639,-5.566525106923077,{'tags': ['Thallium(III) calcium distrontium dicopper oxide']},-72.36482639,-5.566525106923077,-2.04557354474359,"['xas', 'bandstructure']",True,[74165],True,2021-05-12 10:56:57.051000,NM,13,8,mp-20824,oxide,Sr2CaTlCu2O7,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Tl_d', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Tl': 1.0, 'Cu': 2.0, 'O': 7.0}",GGA,mp-20824,"['mp-993717', 'mp-992012', 'mp-20824', 'mp-1420602', 'mp-1701359', 'mp-1787898', 'mp-995037', 'mp-1599885']",0.0332603,"{'Sr': 2.0, 'Ca': 1.0, 'Tl': 1.0, 'Cu': 2.0, 'O': 7.0}",175.7947729718531,[],NM,False,123,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0001891995958567,0.0332603,0,0.0332603,MP,data/source/MP/cleaned/cifs/MP-mp-20824.cif,True,,data/final/MP/graphs/Ca0.8Cu2Sr2Tl1Y0.2O7-MP-mp-20824-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ba0.177Cu1La1.823O4,3,0.0505714285714285,1.0,True,Ba0.177Cu1La1.823O4,Cu1La2O4,25.5,Cuprate,True,Ba2.529Cu14.286La26.043O57.142857142857146,Ba-Cu-La-O,4,Supercon,La1.823Ba0.177Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ba0.177Cu1La1.823O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ba0.177Cu1La1.823O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Hf1Rh1Si1,1,0.0,4.0,False,Hf4Rh4Si4,Hf4Rh4Si4,1.15,Other,True,Hf33.333Rh33.333Si33.333,Hf-Rh-Si,3,Supercon,Hf1Rh1Si1,MP-mp-13472,Hf4Si4Rh4,Hf-Rh-Si,Hf33.333Rh33.333Si33.333,P n m a,orthorhombic,3.930536,6.514553,7.455874,data/final/MP/cifs/Hf1Rh1Si1-MP-mp-13472.cif,data/source/MP/raw/cifs/mp-13472.cif,mp-13472,0.0,,2011-06-03 10:35:23,10.767332393005256,10.17188/1189610,"@misc{osti_1189610,
    author = ""Persson, Kristin"",
    title = ""Materials Data on HfSiRh (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189610"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704544'}},0.0,7.32603773,520.0,-103.80460709,-8.650383924166666,{'tags': ['Hafnium rhodium silicide (1/1/1)']},-103.80460709,-8.650383924166666,-1.0681136775000002,"['xas', 'elasticity', 'bandstructure']",True,"[638834, 68790]",True,2021-05-12 10:56:12.755000,NM,12,12,mp-13472,,HfSiRh,"{'functional': 'PBE', 'labels': ['Hf_pv', 'Si', 'Rh_pv'], 'pot_type': 'paw'}","{'Hf': 1.0, 'Si': 1.0, 'Rh': 1.0}",GGA,mp-13472,"['mp-906916', 'mp-920516', 'mp-921522', 'mp-13472', 'mp-1102913', 'mp-1144593', 'mp-1238554', 'mp-1258678', 'mp-1413964', 'mp-1704544', 'mp-1786396', 'mp-1599533']",0.0001242,"{'Hf': 4.0, 'Si': 4.0, 'Rh': 4.0}",190.91276171776067,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.602235678379916e-06,0.0001242,0,0.0004968,MP,data/source/MP/cleaned/cifs/MP-mp-13472.cif,False,,data/final/MP/graphs/Hf1Rh1Si1-MP-mp-13472.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Fe2Ge2Tm1,1,0.0,1.0,True,Fe2Ge2Tm1,Fe2Ge2Tm1,0.0,Other,True,Fe40Ge40Tm20,Fe-Ge-Tm,3,Supercon,Tm1Fe2Ge2,MP-mp-4660,Tm1Fe2Ge2,Fe-Ge-Tm,Fe40Ge40Tm20,I 4/m m m,tetragonal,3.947949998840371,3.9479499988403695,5.80439263,data/final/MP/cifs/Fe2Ge2Tm1-MP-mp-4660.cif,data/source/MP/raw/cifs/mp-4660.cif,mp-4660,0.0,,2011-05-13 12:54:11,8.916330242188346,10.17188/1208321,"@misc{osti_1208321,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Tm(FeGe)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208321"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702775'}},0.0,4.80153111,520.0,-32.86582196,-6.573164392,"{'tags': ['Thulium iron germanium (1/2/2)', 'Iron thulium germanide (2/1/2)']}",-32.86582196,-6.573164392,-0.440782785333333,"['xas', 'bandstructure']",True,"[106829, 656403]",True,2021-05-12 10:57:08.928000,FM,5,8,mp-4660,,Tm(FeGe)2,"{'functional': 'PBE', 'labels': ['Tm_3', 'Fe_pv', 'Ge_d'], 'pot_type': 'paw'}","{'Tm': 1.0, 'Fe': 2.0, 'Ge': 2.0}",GGA,mp-4660,"['mp-1001248', 'mp-1007599', 'mp-4660', 'mp-1441268', 'mp-1702775', 'mp-1798856', 'mp-1012340', 'mp-1587502']",1.9032957,"{'Tm': 1.0, 'Fe': 2.0, 'Ge': 2.0}",79.31857166843048,[],FM,True,139,1,"[-0.0, 1.0, 1.0, 0.0, 0.0]",0.0239955871615566,1.9032957,2,1.9032957,MP,data/source/MP/cleaned/cifs/MP-mp-4660.cif,False,,data/final/MP/graphs/Fe2Ge2Tm1-MP-mp-4660.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba6Nb10O30,1,0.0,1.0,True,Ba6Nb10O30,Ba6Nb10O30,1.625,Oxide,True,Ba13.043Nb21.739O65.21739130434783,Ba-Nb-O,3,Supercon,Ba6Nb10O30,MP-mp-8846,Ba6Nb10O30,Ba-Nb-O,Ba13.043Nb21.739O65.21739130434783,P 4/m b m,tetragonal,4.0428,12.82901,12.82901,data/final/MP/cifs/Ba6Nb10O30-MP-mp-8846.cif,data/source/MP/raw/cifs/mp-8846.cif,mp-8846,0.0,,2011-08-10 20:37:36,5.5727658171673005,10.17188/1312765,"@misc{osti_1312765,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba3Nb5O15 (SG:127) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1312765"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-922724'}},0.0048247776358412,3.95355596,520.0,-387.78589252,-8.43012809826087,{'tags': ['Tribarium niobo(IV)tetraniobate']},-387.78589252,-8.43012809826087,-3.2050040650000007,"['xas', 'elasticity', 'bandstructure']",True,[69993],True,2021-05-12 10:56:33.121000,NM,46,7,mp-8846,oxide,Ba3Nb5O15,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Nb_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 3.0, 'Nb': 5.0, 'O': 15.0}",GGA,mp-8846,"['mp-908357', 'mp-923502', 'mp-922724', 'mp-8846', 'mp-32247', 'mp-1344674', 'mp-1892841']",0.0037256,"{'Ba': 6.0, 'Nb': 10.0, 'O': 30.0}",665.3781640168284,[],NM,False,127,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.1198443836836744e-05,0.0037256,0,0.0074512,MP,data/source/MP/cleaned/cifs/MP-mp-8846.cif,False,,data/final/MP/graphs/Ba6Nb10O30-MP-mp-8846.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Bi1Pt1Te1,1,0.0,4.0,False,Bi4Pt4Te4,Bi4Pt4Te4,1.15,Other,True,Bi33.333Pt33.333Te33.333,Bi-Pt-Te,3,Supercon,Bi1Pt1Te1,MP-mp-29638,Bi4Te4Pt4,Bi-Pt-Te,Bi33.333Pt33.333Te33.333,P 21 3,cubic,6.763606,6.763606,6.763606,data/final/MP/cifs/Bi1Pt1Te1-MP-mp-29638.cif,data/source/MP/raw/cifs/mp-29638.cif,mp-29638,0.0,,2014-02-25 21:13:23,11.413314055673853,10.17188/1204125,"@misc{osti_1204125,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BiTePt (SG:198) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204125"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1705768'}},0.0,7.10004249,520.0,-56.45431015,-4.704525845833333,"{'tags': ['Platinum telluride bismuthide (1/1/1)', 'Maslovite']}",-56.45431015,-4.704525845833333,-0.4771115291666667,"['xas', 'elasticity', 'bandstructure']",True,[42549],True,2021-05-12 10:56:18.721000,NM,12,9,mp-29638,,BiTePt,"{'functional': 'PBE', 'labels': ['Bi', 'Te', 'Pt'], 'pot_type': 'paw'}","{'Bi': 1.0, 'Te': 1.0, 'Pt': 1.0}",GGA,mp-29638,"['mp-925431', 'mp-924876', 'mp-909849', 'mp-505521', 'mp-29638', 'mp-1504851', 'mp-1705768', 'mp-1808452', 'mp-1604152']",0.000880225,"{'Bi': 4.0, 'Te': 4.0, 'Pt': 4.0}",309.4103963893158,[],NM,False,198,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.1379384923995333e-05,0.000880225,0,0.0035209,MP,data/source/MP/cleaned/cifs/MP-mp-29638.cif,False,,data/final/MP/graphs/Bi1Pt1Te1-MP-mp-29638.json,0,True,23,1,0,0,0,0,0,0,1,0,0,0,1.0,False
Al1Lu2,3,0.1333333333333334,6.0,False,Al6Lu12,Al8Lu12,0.0,Other,True,Al33.333Lu66.667,Al-Lu,2,Supercon,Al1Lu2,MP-mp-16508,Lu12Al8,Al-Lu,Al40Lu60,P 42/m n m,tetragonal,7.445947,8.055012,8.055012,data/final/MP/cifs/Al1Lu2-MP-mp-16508-synth_doped.cif,data/source/MP/raw/cifs/mp-16508.cif,mp-16508,0.0,,2011-06-04 17:28:06,7.95853927631842,10.17188/1191960,"@misc{osti_1191960,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Lu3Al2 (SG:136) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191960"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672003'}},0.0,3.97242489,520.0,-90.75244085,-4.5376220425,{'tags': ['Aluminium lutetium (2/3)']},-90.75244085,-4.5376220425,-0.3268213984999996,"['xas', 'bandstructure']",True,[57959],True,2021-05-12 10:56:53.126000,NM,20,9,mp-16508,,Lu3Al2,"{'functional': 'PBE', 'labels': ['Lu_3', 'Al'], 'pot_type': 'paw'}","{'Lu': 3.0, 'Al': 2.0}",GGA,mp-16508,"['mp-940239', 'mp-925832', 'mp-940672', 'mp-16508', 'mp-1253368', 'mp-1432060', 'mp-1672003', 'mp-1824568', 'mp-1606556']",0.0370403,"{'Lu': 12.0, 'Al': 8.0}",483.1170048012213,[],NM,False,136,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0003066776754441,0.0370403,0,0.1481612,MP,data/source/MP/cleaned/cifs/MP-mp-16508.cif,True,,data/final/MP/graphs/Al1Lu2-MP-mp-16508-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ga24.8V75.2,2,0.004,0.08,False,Ga1.984V6.016,Ga2V6,15.1,Other,True,Ga24.8V75.2,Ga-V,2,Supercon,Ga24.8V75.2,MP-mp-22568,V6Ga2,Ga-V,Ga25V75,P m -3 n,cubic,4.789645,4.789645,4.789645,data/final/MP/cifs/Ga24.8V75.2-MP-mp-22568-synth_doped.cif,data/source/MP/raw/cifs/mp-22568.cif,mp-22568,0.0,,2014-02-22 11:36:40,6.726541666276222,10.17188/1198793,"@misc{osti_1198793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686867'}},0.0,5.67452231,520.0,-61.95244347,-7.74405543375,{'tags': ['Gallium vanadium (1/3)']},-61.95244347,-7.74405543375,-0.1741018756249994,"['xas', 'elasticity', 'bandstructure']",True,"[635643, 635628, 635619, 635634, 104021, 635646, 635604, 635610, 635617, 635624, 635626, 635605, 635631, 635625, 635636, 635603, 104020, 635616, 635607]",True,2021-05-12 10:56:16.728000,FM,8,9,mp-22568,,V3Ga,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ga': 1.0}",GGA,mp-22568,"['mp-941343', 'mp-941663', 'mp-934924', 'mp-22568', 'mp-1440749', 'mp-1686867', 'mp-1804076', 'mp-1593784', 'mp-1595713']",0.09063635,"{'V': 6.0, 'Ga': 2.0}",109.87780534443452,[],FM,True,131,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0, -0.0, -0.0]",0.0016497662965852,0.09063635,2,0.1812727,MP,data/source/MP/cleaned/cifs/MP-mp-22568.cif,True,,data/final/MP/graphs/Ga24.8V75.2-MP-mp-22568-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Al2Lu1,1,0.0,2.0,False,Al4Lu2,Al4Lu2,0.0,Other,True,Al66.667Lu33.333,Al-Lu,2,Supercon,Al2Lu1,MP-mp-1234,Lu2Al4,Al-Lu,Al66.667Lu33.333,F d -3 m,cubic,5.48873961,5.488739609999999,5.488739609999999,data/final/MP/cifs/Al2Lu1-MP-mp-1234.cif,data/source/MP/raw/cifs/mp-1234.cif,mp-1234,0.0,,2011-05-12 20:21:17,6.502480539556319,10.17188/1188720,"@misc{osti_1188720,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LuAl2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1188720"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1678516'}},0.0,5.79284548,520.0,-26.91801468,-4.48633578,{'tags': ['Aluminium lutetium (2/1)']},-26.91801468,-4.48633578,-0.48230172,"['xas', 'elasticity', 'bandstructure']",True,"[608375, 57958, 608376, 608372, 608371, 608370]",True,2021-05-12 10:56:12.755000,NM,6,9,mp-1234,,LuAl2,"{'functional': 'PBE', 'labels': ['Lu_3', 'Al'], 'pot_type': 'paw'}","{'Lu': 1.0, 'Al': 2.0}",GGA,mp-1234,"['mp-940234', 'mp-925833', 'mp-940654', 'mp-1234', 'mp-1258536', 'mp-1438947', 'mp-1678516', 'mp-1803625', 'mp-1593631']",0.00022485,"{'Lu': 2.0, 'Al': 4.0}",116.92379066659764,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",3.846094943006912e-06,0.00022485,0,0.0004497,MP,data/source/MP/cleaned/cifs/MP-mp-1234.cif,False,,data/final/MP/graphs/Al2Lu1-MP-mp-1234.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
As1Co0.07Fe0.93Na1,2,0.0466666666666666,2.0,False,As2Co0.14Fe1.86Na2,As2Fe2Na2,14.0,Ferrite,True,As33.333Co2.333Fe31Na33.333,As-Co-Fe-Na,4,Supercon,Na1Fe0.93Co0.07As1,MP-mp-22152,Na2Fe2As2,As-Fe-Na,As33.333Fe33.333Na33.333,P 4/n m m,tetragonal,3.923688,3.923688,6.918844,data/final/MP/cifs/As1Co0.07Fe0.93Na1-MP-mp-22152-synth_doped.cif,data/source/MP/raw/cifs/mp-22152.cif,mp-22152,0.0,,2014-02-21 10:51:39,4.793908463406792,10.17188/1197381,"@misc{osti_1197381,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NaFeAs (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197381"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704688'}},0.0,4.10723066,520.0,-30.57538864,-5.095898106666667,{'tags': ['Sodium iron arsenide']},-30.57538864,-5.095898106666667,-0.2786807238505749,"['xas', 'elasticity', 'bandstructure']",True,"[163144, 163143]",True,2021-05-12 10:56:16.728000,FM,6,8,mp-22152,,NaFeAs,"{'functional': 'PBE', 'labels': ['Na_pv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Na': 1.0, 'Fe': 1.0, 'As': 1.0}",GGA,mp-22152,"['mp-906352', 'mp-920130', 'mp-919102', 'mp-22152', 'mp-1413190', 'mp-1704688', 'mp-1797758', 'mp-1594769']",0.0693226,"{'Na': 2.0, 'Fe': 2.0, 'As': 2.0}",106.5178694490858,[],FM,True,129,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0]",0.0013016144682303,0.0693226,2,0.1386452,MP,data/source/MP/cleaned/cifs/MP-mp-22152.cif,True,,data/final/MP/graphs/As1Co0.07Fe0.93Na1-MP-mp-22152-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Hf1W2,1,0.0,2.0,False,Hf2W4,Hf2W4,0.0,Other,True,Hf33.333W66.667,Hf-W,2,Supercon,Hf1W2,MP-mp-1400,Hf2W4,Hf-W,Hf33.333W66.667,F d -3 m,cubic,5.39304968,5.39304968,5.39304968,data/final/MP/cifs/Hf1W2-MP-mp-1400.cif,data/source/MP/raw/cifs/mp-1400.cif,mp-1400,0.0,,2011-05-13 13:13:36,16.35379952578737,10.17188/1189871,"@misc{osti_1189871,
    author = ""Persson, Kristin"",
    title = ""Materials Data on HfW2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189871"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703110'}},0.0,5.64595398,520.0,-72.78108055,-12.130180091666666,"{'tags': ['Hafnium tungsten (1/2)', 'Hafnium tungsten (1/2) - HT']}",-72.78108055,-12.130180091666666,-0.172366161666666,"['xas', 'elasticity', 'bandstructure']",True,"[639005, 104289, 639010, 639012, 639011]",True,2021-05-12 10:56:12.755000,NM,6,8,mp-1400,,HfW2,"{'functional': 'PBE', 'labels': ['Hf_pv', 'W_pv'], 'pot_type': 'paw'}","{'Hf': 1.0, 'W': 2.0}",GGA,mp-1400,"['mp-941688', 'mp-934980', 'mp-941850', 'mp-1400', 'mp-1413029', 'mp-1703110', 'mp-1788056', 'mp-1593963']",0.00030585,"{'Hf': 2.0, 'W': 4.0}",110.91448449943704,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",5.515059667460336e-06,0.00030585,0,0.0006117,MP,data/source/MP/cleaned/cifs/MP-mp-1400.cif,False,,data/final/MP/graphs/Hf1W2-MP-mp-1400.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Cu0.09Li1Ti1.91O4,2,0.0257142857142857,2.0,False,Cu0.18Li2Ti3.82O8,Li2Ti4O8,14.4,Cuprate,True,Cu1.286Li14.286Ti27.286O57.142857142857146,Cu-Li-Ti-O,4,Supercon,Li1Ti1.91Cu0.09O4,MP-mp-5670,Li2Ti4O8,Li-Ti-O,Li14.286Ti28.571O57.142857142857146,F d -3 m,cubic,5.986032260000001,5.98603226,5.98603226,data/final/MP/cifs/Cu0.09Li1Ti1.91O4-MP-mp-5670-synth_doped.cif,data/source/MP/raw/cifs/mp-5670.cif,mp-5670,0.0,,2011-05-14 11:10:22,3.649565337909552,10.17188/1273637,"@misc{osti_1273637,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LiTi2O4 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1273637"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1699404'}},0.0,5.03116805,520.0,-114.93444733,-8.209603380714286,"{'tags': ['Lithium titanium oxide (1/2/4)', 'Lithium titanium(III) titanium(IV) oxide', 'Lithium titanium(III) titanium oxide', 'Lithium titanium titanium(III) oxide', 'Lithium titano(III)titanate', 'Spinel-(Li,Ti)']}",-114.93444733,-8.209603380714286,-3.2462103921428564,"['bandstructure', 'elasticity']",True,"[72859, 78482, 154982, 81329, 15789, 48127]",True,2021-05-12 10:56:22.739000,NM,14,7,mp-5670,oxide,LiTi2O4,"{'functional': 'PBE', 'labels': ['Li_sv', 'Ti_pv', 'O'], 'pot_type': 'paw'}","{'Li': 1.0, 'Ti': 2.0, 'O': 4.0}",GGA,mp-5670,"['mp-923613', 'mp-922835', 'mp-908534', 'mp-5670', 'mp-1418091', 'mp-1699404', 'mp-1787951']",0.0521081,"{'Li': 2.0, 'Ti': 4.0, 'O': 8.0}",151.67086379131675,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0006871207652868,0.0521081,0,0.1042162,MP,data/source/MP/cleaned/cifs/MP-mp-5670.cif,True,,data/final/MP/graphs/Cu0.09Li1Ti1.91O4-MP-mp-5670-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ba2Ca0.03Cu4Er0.97O8,2,0.004,1.0,True,Ba2Ca0.03Cu4Er0.97O8,Ba2Cu4Er1O8,80.0,Cuprate,True,Ba13.333Ca0.2Cu26.667Er6.467O53.333333333333336,Ba-Ca-Cu-Er-O,5,Supercon,Er0.97Ca0.03Ba2Cu4O8,MP-mp-6583,Ba2Er1Cu4O8,Ba-Cu-Er-O,Ba13.333Cu26.667Er6.667O53.333333333333336,C m m m,orthorhombic,3.873464,3.891204000753849,13.86912846,data/final/MP/cifs/Ba2Ca0.03Cu4Er0.97O8-MP-mp-6583-synth_doped.cif,data/source/MP/raw/cifs/mp-6583.cif,mp-6583,0.0,,2011-05-16 03:37:49,6.611623585695933,10.17188/1281373,"@misc{osti_1281373,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2Er(CuO2)4 (SG:65) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281373"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697070'}},0.0,3.30541643,520.0,-89.84545691,-5.989697127333333,"{'tags': ['Erbium barium copper oxide (1/2/4/8)', 'Erbium dibarium tricopper copper(III) oxide', 'Erbium dibarium tetracopper octaoxide']}",-89.84545691,-5.989697127333333,-2.063685448,"['xas', 'bandstructure']",True,"[67642, 67641, 78623, 74127, 75687, 67640]",True,2021-05-12 10:57:32.679000,NM,15,8,mp-6583,oxide,Ba2Er(CuO2)4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Er_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Er': 1.0, 'Cu': 4.0, 'O': 8.0}",GGA,mp-6583,"['mp-1000697', 'mp-1007163', 'mp-6583', 'mp-1432454', 'mp-1697070', 'mp-1787406', 'mp-1011910', 'mp-1601241']",0.0486496,"{'Ba': 2.0, 'Er': 1.0, 'Cu': 4.0, 'O': 8.0}",206.9744707700718,[],NM,False,65,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0002350512109971,0.0486496,0,0.0486496,MP,data/source/MP/cleaned/cifs/MP-mp-6583.cif,True,,data/final/MP/graphs/Ba2Ca0.03Cu4Er0.97O8-MP-mp-6583-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Dy0.1Fe3Lu1.9Si5,2,0.02,4.0,False,Dy0.4Fe12Lu7.6Si20,Fe12Lu8Si20,3.77,Other,True,Dy1Fe30Lu19Si50,Dy-Fe-Lu-Si,4,Supercon,Lu1.9Dy0.1Fe3Si5,MP-mp-541557,Lu8Fe12Si20,Fe-Lu-Si,Fe30Lu20Si50,P 4/m n c,tetragonal,5.385917,10.270814,10.270814,data/final/MP/cifs/Dy0.1Fe3Lu1.9Si5-MP-mp-541557-synth_doped.cif,data/source/MP/raw/cifs/mp-541557.cif,mp-541557,0.0,,2014-03-04 18:23:36,7.69125622397548,10.17188/1265154,"@misc{osti_1265154,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Lu2Fe3Si5 (SG:128) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1265154"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1746411'}},0.0,7.47471245,520.0,-273.951322,-6.84878305,{'tags': ['Lutetium iron silicide (2/3/5)']},-273.951322,-6.84878305,-0.6554334009999998,"['xas', 'bandstructure']",True,"[84198, 247832, 632470]",True,2021-05-12 10:57:10.838000,NM,40,10,mp-541557,,Lu2Fe3Si5,"{'functional': 'PBE', 'labels': ['Lu_3', 'Fe_pv', 'Si'], 'pot_type': 'paw'}","{'Lu': 2.0, 'Fe': 3.0, 'Si': 5.0}",GGA,mp-541557,"['mp-939885', 'mp-916724', 'mp-937397', 'mp-541557', 'mp-1170743', 'mp-1200451', 'mp-1255960', 'mp-1383694', 'mp-1746411', 'mp-1892871']",0.000409375,"{'Lu': 8.0, 'Fe': 12.0, 'Si': 20.0}",568.1583388804236,[],NM,False,90,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.8821190994516645e-06,0.000409375,0,0.0016375,MP,data/source/MP/cleaned/cifs/MP-mp-541557.cif,True,,data/final/MP/graphs/Dy0.1Fe3Lu1.9Si5-MP-mp-541557-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ge2Ir2U1,1,0.0,2.0,False,Ge4Ir4U2,Ge4Ir4U2,1.1,Heavy_fermion,True,Ge40Ir40U20,Ge-Ir-U,3,Supercon,U1Ir2Ge2,MP-mp-1078742,U2Ge4Ir4,Ge-Ir-U,Ge40Ir40U20,P 4/n m m,tetragonal,4.204616,4.204616,10.173769,data/final/MP/cifs/Ge2Ir2U1-MP-mp-1078742.cif,data/source/MP/raw/cifs/mp-1078742.cif,mp-1078742,0.0,,2018-04-12 20:05:27,14.176217174614898,,,{'GGA': {'task_id': 'mp-1704118'}},0.0223437851785721,8.50847567,520.0,-81.2207672,-8.122076719999999,{'tags': ['Iridium uranium germanide (2/1/2)']},-81.2207672,-8.122076719999999,-0.479211407999999,['bandstructure'],True,"[636754, 636759]",True,2021-05-12 10:58:16.596000,FM,10,6,mp-1078742,,U(GeIr)2,"{'functional': 'PBE', 'labels': ['U', 'Ge_d', 'Ir'], 'pot_type': 'paw'}","{'U': 1.0, 'Ge': 2.0, 'Ir': 2.0}",GGA,mp-1078742,"['mp-1078742', 'mp-1080012', 'mp-1421075', 'mp-1704118', 'mp-1787813', 'mp-1600413']",2.30149885,"{'U': 2.0, 'Ge': 4.0, 'Ir': 4.0}",179.85998372584888,[],FM,True,129,1,"[2.2, 2.2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0255921167379627,2.30149885,2,4.6029977,MP,data/source/MP/cleaned/cifs/MP-mp-1078742.cif,False,,data/final/MP/graphs/Ge2Ir2U1-MP-mp-1078742.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ce0.2La0.8Ru2,3,0.1333333333333333,2.0,False,Ce0.4La1.6Ru4,La2Ru4,2.01,Other,True,Ce6.667La26.667Ru66.667,Ce-La-Ru,3,Supercon,La0.8Ce0.2Ru2,MP-mp-2019,La2Ru4,La-Ru,La33.333Ru66.667,F d -3 m,cubic,5.46409128,5.464091279999999,5.464091279999999,data/final/MP/cifs/Ce0.2La0.8Ru2-MP-mp-2019-synth_doped.cif,data/source/MP/raw/cifs/mp-2019.cif,mp-2019,0.0,,2011-05-13 21:42:56,9.818667150990734,10.17188/1195329,"@misc{osti_1195329,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaRu2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195329"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686817'}},0.0017745359523804,8.6251779,520.0,-47.76122776,-7.960204626666666,"{'tags': ['Lanthanum ruthenium hydride (1/2/4)', 'Lanthanum ruthenium (1/2)']}",-47.76122776,-7.960204626666666,-0.1319424883333321,"['xas', 'elasticity', 'bandstructure']",True,"[104712, 641760, 641778, 638256, 641771, 641766, 641774, 638255, 641762, 104713, 641761, 641775, 641777]",True,2021-05-12 10:56:14.760000,NM,6,14,mp-2019,,LaRu2,"{'functional': 'PBE', 'labels': ['La', 'Ru_pv'], 'pot_type': 'paw'}","{'La': 1.0, 'Ru': 2.0}",GGA,mp-2019,"['mp-935098', 'mp-941760', 'mp-941909', 'mp-2019', 'mp-1072861', 'mp-1072969', 'mp-1072939', 'mp-1077306', 'mp-1442150', 'mp-1686817', 'mp-1803378', 'mp-1590466', 'mp-1596026', 'mp-1072974']",0.000191,"{'La': 2.0, 'Ru': 4.0}",115.35564200581236,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",3.311498192526659e-06,0.000191,0,0.000382,MP,data/source/MP/cleaned/cifs/MP-mp-2019.cif,True,,data/final/MP/graphs/Ce0.2La0.8Ru2-MP-mp-2019-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ba2Cu3Er0.8Pr0.2O7,3,0.0307692307692307,1.0,True,Ba2Cu3Er0.8Pr0.2O7,Ba2Cu3Er1O7,76.4,Cuprate,True,Ba15.385Cu23.077Er6.154Pr1.538O53.84615384615385,Ba-Cu-Er-Pr-O,5,Supercon,Er0.8Pr0.2Ba2Cu3O7,MP-mp-622110,Ba2Er1Cu3O7,Ba-Cu-Er-O,Ba15.385Cu23.077Er7.692O53.84615384615385,P m m m,orthorhombic,3.834762,3.933125,11.788769,data/final/MP/cifs/Ba2Cu3Er0.8Pr0.2O7-MP-mp-622110-synth_doped.cif,data/source/MP/raw/cifs/mp-622110.cif,mp-622110,0.0,,2014-02-15 20:42:48,6.953388209207566,10.17188/1278094,"@misc{osti_1278094,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2ErCu3O7 (SG:47) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278094"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1676776'}},0.0334336014102625,3.20253361,520.0,-79.04238944,-6.080183803076922,"{'tags': ['Erbium barium copper oxide (1/2/3/7)', 'Erbium dibarium tricopper heptaoxide']}",-79.04238944,-6.080183803076922,-2.1932601480769227,['bandstructure'],True,"[63405, 81176]",True,2021-05-12 10:58:51.532000,NM,13,8,mp-622110,oxide,Ba2ErCu3O7,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Er_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Er': 1.0, 'Cu': 3.0, 'O': 7.0}",GGA,mp-622110,"['mp-932741', 'mp-622110', 'mp-931664', 'mp-916329', 'mp-1380960', 'mp-1676776', 'mp-1835850', 'mp-1598909']",0.0002229,"{'Ba': 2.0, 'Er': 1.0, 'Cu': 3.0, 'O': 7.0}",177.80526717534096,[],NM,False,47,0,"[0.0, 0.0, 0.0, 0.0, 0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",1.2536186556284031e-06,0.0002229,0,0.0002229,MP,data/source/MP/cleaned/cifs/MP-mp-622110.cif,True,,data/final/MP/graphs/Ba2Cu3Er0.8Pr0.2O7-MP-mp-622110-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ce0.04In1La2.96,2,0.02,1.0,True,Ce0.04In1La2.96,In1La3,7.01,Other,True,Ce1In25La74,Ce-In-La,3,Supercon,La2.96Ce0.04In1,MP-mp-20909,La3In1,In-La,In25La75,P m -3 m,cubic,5.076766,5.076766,5.076766,data/final/MP/cifs/Ce0.04In1La2.96-MP-mp-20909-synth_doped.cif,data/source/MP/raw/cifs/mp-20909.cif,mp-20909,0.0,,2014-02-21 06:52:52,6.7455760598452565,10.17188/1196104,"@misc{osti_1196104,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La3In (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196104"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671685'}},0.0,8.16935076,520.0,-18.73796121,-4.6844903025,"{'tags': ['Indium lanthanum (1/3)', 'Lanthanum indium (3/1)']}",-18.73796121,-4.6844903025,-0.2945640412500001,"['xas', 'bandstructure']",True,"[639844, 51950, 639851, 639840, 603208, 107019]",True,2021-05-12 10:56:57.051000,NM,4,8,mp-20909,,La3In,"{'functional': 'PBE', 'labels': ['La', 'In_d'], 'pot_type': 'paw'}","{'La': 3.0, 'In': 1.0}",GGA,mp-20909,"['mp-906743', 'mp-921394', 'mp-920373', 'mp-20909', 'mp-1476042', 'mp-1671685', 'mp-1778647', 'mp-1590323']",0.0489742,"{'La': 3.0, 'In': 1.0}",130.84629766481785,[],NM,False,221,0,"[0, 0, 0, 0]",0.0003742880071811,0.0489742,0,0.0489742,MP,data/source/MP/cleaned/cifs/MP-mp-20909.cif,True,,data/final/MP/graphs/Ce0.04In1La2.96-MP-mp-20909-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ga6Gd1,1,0.0,2.0,False,Ga12Gd2,Ga12Gd2,0.0,Other,True,Ga85.714Gd14.286,Ga-Gd,2,Supercon,Ga6Gd1,MP-mp-1104838,Gd2Ga12,Ga-Gd,Ga85.714Gd14.286,P 4/n b m,tetragonal,6.02249,6.02249,7.631836,data/final/MP/cifs/Ga6Gd1-MP-mp-1104838.cif,data/source/MP/raw/cifs/mp-1104838.cif,mp-1104838,0.0,,2018-07-18 23:53:10,6.905730405853755,,,{'GGA': {'task_id': 'mp-1676051'}},0.0,3.24171582,520.0,-69.02395106,-4.930282218571429,{'tags': ['Gadolinium gallide (1/6)']},-69.02395106,-4.930282218571429,-0.3238967364285717,['bandstructure'],True,"[634219, 634217, 634218]",True,2021-05-12 10:58:20.361000,AFM,14,6,mp-1104838,,GdGa6,"{'functional': 'PBE', 'labels': ['Gd', 'Ga_d'], 'pot_type': 'paw'}","{'Gd': 1.0, 'Ga': 6.0}",GGA,mp-1104838,"['mp-1104838', 'mp-1382705', 'mp-1676051', 'mp-1772212', 'mp-1880302', 'mp-1604853']",4.55e-06,"{'Gd': 2.0, 'Ga': 12.0}",276.809636083092,[],AFM,True,111,1,"[-7.0, 7.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",3.287457809911062e-08,4.55e-06,2,9.1e-06,MP,data/source/MP/cleaned/cifs/MP-mp-1104838.cif,False,,data/final/MP/graphs/Ga6Gd1-MP-mp-1104838.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As1Fe1Pr0.85Sr0.15O1,3,0.075,2.0,False,As2Fe2Pr1.7Sr0.3O2,As2Fe2Pr2O2,15.5,Ferrite,True,As25Fe25Pr21.25Sr3.75O25,As-Fe-Pr-Sr-O,5,Supercon,Pr0.85Sr0.15Fe1As1O1,MP-mp-22491,Pr2Fe2As2O2,As-Fe-Pr-O,As25Fe25Pr25O25,P 4/n m m,tetragonal,4.094889,4.094889,9.258722,data/final/MP/cifs/As1Fe1Pr0.85Sr0.15O1-MP-mp-22491-synth_doped.cif,data/source/MP/raw/cifs/mp-22491.cif,mp-22491,0.0,,2014-02-25 19:17:30,6.153806906111091,,,{'GGA+U': {'task_id': 'mp-1695715'}},0.3808778432291664,4.12348168,520.0,-51.7633941,-6.4704242625,{'tags': ['Praseodymium iron arsenic oxide (1/1/1/1)']},-51.7633941,-6.4704242625,-1.491677511249999,"['xas', 'bandstructure']",True,"[162830, 162833, 246832, 90316, 422000, 236649, 236648, 602491]",True,2021-05-12 10:57:10.838000,FM,8,8,mp-22491,oxide,PrFeAsO,"{'functional': 'PBE', 'labels': ['Pr_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Pr': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-22491,"['mp-510622', 'mp-1079608', 'mp-1079857', 'mp-22491', 'mp-1476145', 'mp-1695715', 'mp-1778524', 'mp-1596397']",3.7947681,"{'Pr': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",155.25132378854377,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, 0.0, 0.0, 0.0, 0.0]",0.0488854846116297,3.7947681,2,7.5895362,MP,data/source/MP/cleaned/cifs/MP-mp-22491.cif,True,,data/final/MP/graphs/As1Fe1Pr0.85Sr0.15O1-MP-mp-22491-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
B2Os3U1,1,0.0,1.0,True,B2Os3U1,B2Os3U1,0.0,Heavy_fermion,True,B33.333Os50U16.667,B-Os-U,3,Supercon,U1Os3B2,MP-mp-10132,U1B2Os3,B-Os-U,B33.333Os50U16.667,P 6/m m m,hexagonal,2.960112,5.571798004813543,5.57179834,data/final/MP/cifs/B2Os3U1-MP-mp-10132.cif,data/source/MP/raw/cifs/mp-10132.cif,mp-10132,0.0,,2011-05-28 11:26:31,17.325109845565226,10.17188/1186663,"@misc{osti_1186663,
    author = ""Persson, Kristin"",
    title = ""Materials Data on UB2Os3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1186663"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1709253'}},0.0,9.49824691,520.0,-60.28364205,-10.047273675,"{'tags': ['Uranium osmium boride (1/3/2)', 'Osmium uranium boride (3/1/2)']}",-60.28364205,-10.047273675,-0.3252249555555551,"['xas', 'elasticity', 'bandstructure']",True,"[615138, 44539]",True,2021-05-12 10:56:08.727000,FM,6,10,mp-10132,,UB2Os3,"{'functional': 'PBE', 'labels': ['U', 'B', 'Os_pv'], 'pot_type': 'paw'}","{'U': 1.0, 'B': 2.0, 'Os': 3.0}",GGA,mp-10132,"['mp-926707', 'mp-910311', 'mp-926160', 'mp-10132', 'mp-1077200', 'mp-1179282', 'mp-1421662', 'mp-1709253', 'mp-1798556', 'mp-1608276']",0.2858656,"{'U': 1.0, 'B': 2.0, 'Os': 3.0}",79.58469134925193,[],FM,True,65,1,"[0.4, -0.0, -0.0, -0.0, 0.0, -0.0]",0.0035919671880801,0.2858656,1,0.2858656,MP,data/source/MP/cleaned/cifs/MP-mp-10132.cif,False,,data/final/MP/graphs/B2Os3U1-MP-mp-10132.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Cd0.75Mg0.25,1,0.0,8.0,False,Cd6Mg2,Cd6Mg2,0.16,Other,True,Cd75Mg25,Cd-Mg,2,Supercon,Cd0.75Mg0.25,MP-mp-30491,Mg2Cd6,Cd-Mg,Cd75Mg25,P 63/m m c,hexagonal,5.042172,6.357332004789613,6.35733286,data/final/MP/cifs/Cd0.75Mg0.25-MP-mp-30491.cif,data/source/MP/raw/cifs/mp-30491.cif,mp-30491,0.0,,2014-02-19 18:30:20,6.80353923825999,10.17188/1204895,"@misc{osti_1204895,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MgCd3 (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204895"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687916'}},0.0,3.1305682,520.0,-9.29627799,-1.16203474875,{'tags': ['Cadmium magnesium (3/1)']},-9.29627799,-1.16203474875,-0.0697974162499999,"['xas', 'elasticity', 'bandstructure']",True,[102027],True,2021-05-12 10:56:18.721000,NM,8,7,mp-30491,,MgCd3,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Cd'], 'pot_type': 'paw'}","{'Mg': 1.0, 'Cd': 3.0}",GGA,mp-30491,"['mp-928221', 'mp-928777', 'mp-912212', 'mp-30491', 'mp-1413694', 'mp-1687916', 'mp-1828231']",0.00074825,"{'Mg': 2.0, 'Cd': 6.0}",176.4810790490775,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",8.479662568154628e-06,0.00074825,0,0.0014965,MP,data/source/MP/cleaned/cifs/MP-mp-30491.cif,False,,data/final/MP/graphs/Cd0.75Mg0.25-MP-mp-30491.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ge0.2Nb3Sn0.8,3,0.0999999999999999,2.0,False,Ge0.4Nb6Sn1.6,Nb6Sn2,17.78333333,Other,True,Ge5Nb75Sn20,Ge-Nb-Sn,3,Supercon,Nb3Sn0.8Ge0.2,MP-mp-1326,Nb6Sn2,Nb-Sn,Nb75Sn25,P m -3 n,cubic,5.334611,5.334611,5.334611,data/final/MP/cifs/Ge0.2Nb3Sn0.8-MP-mp-1326-synth_doped.cif,data/source/MP/raw/cifs/mp-1326.cif,mp-1326,0.0,,2011-05-14 09:51:48,8.694218121896231,10.17188/1189484,"@misc{osti_1189484,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Sn (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189484"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668415'}},0.0,6.59372491,520.0,-69.93787048,-8.74223381,{'tags': ['Niobium tin (3/1)']},-69.93787048,-8.74223381,-0.163862066250001,"['xas', 'elasticity', 'bandstructure']",True,"[105230, 645503, 645489, 105231, 645498, 645485, 645474, 645496, 645480, 645488, 645482, 645487, 645500, 645493, 645477, 645484, 645502, 645483, 150878, 645479, 645481, 645486, 645473]",True,2021-05-12 10:56:12.755000,NM,8,9,mp-1326,,Nb3Sn,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Sn_d'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Sn': 1.0}",GGA,mp-1326,"['mp-930046', 'mp-913770', 'mp-930577', 'mp-1326', 'mp-1440651', 'mp-1668415', 'mp-1880085', 'mp-1594093', 'mp-1594507']",0.62023085,"{'Nb': 6.0, 'Sn': 2.0}",151.81275738025872,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0081709977567491,0.62023085,0,1.2404617,MP,data/source/MP/cleaned/cifs/MP-mp-1326.cif,True,,data/final/MP/graphs/Ge0.2Nb3Sn0.8-MP-mp-1326-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Gd0.02Pd2Sn1Y0.98,2,0.01,1.0,True,Gd0.02Pd2Sn1Y0.98,Pd2Sn1Y1,3.24,Other,True,Gd0.5Pd50Sn25Y24.5,Gd-Pd-Sn-Y,4,Supercon,Pd2Y0.98Gd0.02Sn1,MP-mp-5538,Y1Sn1Pd2,Pd-Sn-Y,Pd50Sn25Y25,F m -3 m,cubic,4.81595014,4.81595014,4.81595014,data/final/MP/cifs/Gd0.02Pd2Sn1Y0.98-MP-mp-5538-synth_doped.cif,data/source/MP/raw/cifs/mp-5538.cif,mp-5538,0.0,,2011-05-13 01:04:13,8.839720826473608,10.17188/1267618,"@misc{osti_1267618,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YSnPd2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1267618"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687523'}},0.0,6.33853657,520.0,-24.32859047,-6.0821476175,"{'tags': ['Palladium yttrium stannide (2/1/1)', 'Palladium tin yttrium (2/1/1)']}",-24.32859047,-6.0821476175,-0.873195970416667,"['xas', 'elasticity', 'bandstructure']",True,"[105699, 648949, 105700, 424011, 648950]",True,2021-05-12 10:56:22.739000,NM,4,12,mp-5538,,YSnPd2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Sn_d', 'Pd'], 'pot_type': 'paw'}","{'Y': 1.0, 'Sn': 1.0, 'Pd': 2.0}",GGA,mp-5538,"['mp-1008093', 'mp-1001657', 'mp-5538', 'mp-1065654', 'mp-1065644', 'mp-1065683', 'mp-1439031', 'mp-1687523', 'mp-1801498', 'mp-1012418', 'mp-1593849', 'mp-1065696']",0.0001592,"{'Y': 1.0, 'Sn': 1.0, 'Pd': 2.0}",78.98251295612837,[],NM,False,225,0,"[0, 0, 0, 0]",2.015636044505563e-06,0.0001592,0,0.0001592,MP,data/source/MP/cleaned/cifs/MP-mp-5538.cif,True,,data/final/MP/graphs/Gd0.02Pd2Sn1Y0.98-MP-mp-5538-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ir1Nb3,1,0.0,2.0,False,Ir2Nb6,Ir2Nb6,1.4075,Other,True,Ir25Nb75,Ir-Nb,2,Supercon,Ir1Nb3,MP-mp-1458,Nb6Ir2,Ir-Nb,Ir25Nb75,P m -3 n,cubic,5.183769,5.183769,5.183769,data/final/MP/cifs/Ir1Nb3-MP-mp-1458.cif,data/source/MP/raw/cifs/mp-1458.cif,mp-1458,0.0,,2011-05-14 00:52:36,11.228046236687836,10.17188/1190735,"@misc{osti_1190735,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Ir (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1190735"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698594'}},0.0,6.13208274,520.0,-81.50600203,-10.18825025375,{'tags': ['Iridium niobium (1/3)']},-81.50600203,-10.18825025375,-0.4026638687500004,"['xas', 'elasticity', 'bandstructure']",True,"[640840, 640833, 104512, 640832]",True,2021-05-12 10:56:12.755000,NM,8,8,mp-1458,,Nb3Ir,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Ir'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Ir': 1.0}",GGA,mp-1458,"['mp-929024', 'mp-912590', 'mp-929391', 'mp-1458', 'mp-1426323', 'mp-1698594', 'mp-1784808', 'mp-1591057']",0.00018035,"{'Nb': 6.0, 'Ir': 2.0}",139.29544675164993,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.5894600894104784e-06,0.00018035,0,0.0003607,MP,data/source/MP/cleaned/cifs/MP-mp-1458.cif,False,,data/final/MP/graphs/Ir1Nb3-MP-mp-1458.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ge2Ir2Th1,1,0.0,2.0,False,Ge4Ir4Th2,Ge4Ir4Th2,1.51,Other,True,Ge40Ir40Th20,Ge-Ir-Th,3,Supercon,Th1Ir2Ge2,MP-mp-1079959,Th2Ge4Ir4,Ge-Ir-Th,Ge40Ir40Th20,P 4/n m m,tetragonal,4.27611,4.27611,10.181913,data/final/MP/cifs/Ge2Ir2Th1-MP-mp-1079959.cif,data/source/MP/raw/cifs/mp-1079959.cif,mp-1079959,0.0,,2018-04-16 23:44:09,13.588315169440836,,,{'GGA': {'task_id': 'mp-1701836'}},0.0,7.44412871,520.0,-76.94515813,-7.694515813,{'tags': ['Iridium thorium germanide (2/1/2)']},-76.94515813,-7.694515813,-0.8271608529999994,['bandstructure'],True,[636745],True,2021-05-12 10:58:16.596000,NM,10,5,mp-1079959,,Th(GeIr)2,"{'functional': 'PBE', 'labels': ['Th', 'Ge_d', 'Ir'], 'pot_type': 'paw'}","{'Th': 1.0, 'Ge': 2.0, 'Ir': 2.0}",GGA,mp-1079959,"['mp-1079959', 'mp-1426278', 'mp-1701836', 'mp-1833538', 'mp-1601095']",0.0001088,"{'Th': 2.0, 'Ge': 4.0, 'Ir': 4.0}",186.1774677610865,[],NM,False,129,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.1687773102555926e-06,0.0001088,0,0.0002176,MP,data/source/MP/cleaned/cifs/MP-mp-1079959.cif,False,,data/final/MP/graphs/Ge2Ir2Th1-MP-mp-1079959.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Cu2Fe1Sr2Y1O7.66,2,0.0445996170739948,1.8277352480417757,False,Cu3.655Fe1.828Sr3.655Y1.828O14,Cu4Fe2Sr4Y2O14,43.5,Cuprate,True,Cu14.641Fe7.321Sr14.641Y7.321O56.07613469985358,Cu-Fe-Sr-Y-O,5,Supercon,Fe1Sr2Y1Cu2O7.66,MP-mvc-771,Sr4Y2Fe2Cu4O14,Cu-Fe-Sr-Y-O,Cu15.385Fe7.692Sr15.385Y7.692O53.84615384615385,I m a 2,orthorhombic,5.428009999807786,5.524618000554629,12.28734132,data/final/MP/cifs/Cu2Fe1Sr2Y1O7.66-MP-mvc-771-synth_doped.cif,data/source/MP/raw/cifs/mvc-771.cif,mvc-771,0.0,,2017-12-02 01:24:31,5.309669206142082,10.17188/1322699,"@misc{osti_1322699,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr2YFeCu2O7 (SG:46) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1322699"",
    place = ""United States"",
    year = ""2014"",
    month = ""9"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1680490'}},0.0199638557692258,3.37539656,520.0,-169.36345348,-6.51397898,{'tags': []},-169.36345348,-6.51397898,-2.353624607307692,"['xas', 'bandstructure']",True,[],True,2021-05-12 10:58:07.127000,FM,26,8,mvc-771,oxide,Sr2YFeCu2O7,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Y_sv', 'Fe_pv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Y': 1.0, 'Fe': 1.0, 'Cu': 2.0, 'O': 7.0}",GGA+U,mvc-771,"['mvc-771', 'mp-1042547', 'mp-1042574', 'mp-1345426', 'mp-1655657', 'mp-1680490', 'mp-1836639', 'mp-1042570']",4.95893815,"{'Sr': 4.0, 'Y': 2.0, 'Fe': 2.0, 'Cu': 4.0, 'O': 14.0}",349.6910649548837,[],FM,True,5,5,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 4.2, 4.2, -0.0, -0.0, 0.0, 0.0, 0.2, 0.2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0283618236035844,4.95893815,4,9.9178763,MP,data/source/MP/cleaned/cifs/MP-mvc-771.cif,True,,data/final/MP/graphs/Cu2Fe1Sr2Y1O7.66-MP-mvc-771-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,0,1,0,1.0,False
Cu1La1.885Sr0.115O4,2,0.0328571428571428,1.0,True,Cu1La1.885Sr0.115O4,Cu1La2O4,28.414,Cuprate,True,Cu14.286La26.929Sr1.643O57.142857142857146,Cu-La-Sr-O,4,Supercon,La1.885Sr0.115Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La1.885Sr0.115O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La1.885Sr0.115O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Al0.09Nb3Sn0.91,2,0.0449999999999999,2.0,False,Al0.18Nb6Sn1.82,Nb6Sn2,17.8,Other,True,Al2.25Nb75Sn22.75,Al-Nb-Sn,3,Supercon,Nb3Sn0.91Al0.09,MP-mp-1326,Nb6Sn2,Nb-Sn,Nb75Sn25,P m -3 n,cubic,5.334611,5.334611,5.334611,data/final/MP/cifs/Al0.09Nb3Sn0.91-MP-mp-1326-synth_doped.cif,data/source/MP/raw/cifs/mp-1326.cif,mp-1326,0.0,,2011-05-14 09:51:48,8.694218121896231,10.17188/1189484,"@misc{osti_1189484,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Sn (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189484"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668415'}},0.0,6.59372491,520.0,-69.93787048,-8.74223381,{'tags': ['Niobium tin (3/1)']},-69.93787048,-8.74223381,-0.163862066250001,"['xas', 'elasticity', 'bandstructure']",True,"[105230, 645503, 645489, 105231, 645498, 645485, 645474, 645496, 645480, 645488, 645482, 645487, 645500, 645493, 645477, 645484, 645502, 645483, 150878, 645479, 645481, 645486, 645473]",True,2021-05-12 10:56:12.755000,NM,8,9,mp-1326,,Nb3Sn,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Sn_d'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Sn': 1.0}",GGA,mp-1326,"['mp-930046', 'mp-913770', 'mp-930577', 'mp-1326', 'mp-1440651', 'mp-1668415', 'mp-1880085', 'mp-1594093', 'mp-1594507']",0.62023085,"{'Nb': 6.0, 'Sn': 2.0}",151.81275738025872,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0081709977567491,0.62023085,0,1.2404617,MP,data/source/MP/cleaned/cifs/MP-mp-1326.cif,True,,data/final/MP/graphs/Al0.09Nb3Sn0.91-MP-mp-1326-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ce1Ge1Pd2,1,0.0,4.0,False,Ce4Ge4Pd8,Ce4Ge4Pd8,0.0,Heavy_fermion,True,Ce25Ge25Pd50,Ce-Ge-Pd,3,Supercon,Ce1Pd2Ge1,MP-mp-1188948,Ce4Ge4Pd8,Ce-Ge-Pd,Ce25Ge25Pd50,P n m a,orthorhombic,5.680169,6.981099,7.854156,data/final/MP/cifs/Ce1Ge1Pd2-MP-mp-1188948.cif,data/source/MP/raw/cifs/mp-1188948.cif,mp-1188948,0.0,,2019-01-11 19:49:37.282000,9.07657601535917,,,{'GGA': {'task_id': 'mp-1705379'}},0.0206062245138873,6.36907831,520.0,-96.67042071,-6.041901294375,"{'tags': ['CePd2Ge', 'YPd2Si', 'Cerium palladium germanide (1/2/1)']}",-96.67042071,-6.041901294375,-0.8129311368749992,['bandstructure'],True,[621240],True,2021-05-12 10:58:33.577000,FM,16,5,mp-1188948,,CeGePd2,"{'functional': 'PBE', 'labels': ['Ce', 'Ge_d', 'Pd'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Ge': 1.0, 'Pd': 2.0}",GGA,mp-1188948,"['mp-1188948', 'mp-1415062', 'mp-1705379', 'mp-1810695', 'mp-1605013']",0.6391104,"{'Ce': 4.0, 'Ge': 4.0, 'Pd': 8.0}",311.4473049717429,[],FM,True,62,1,"[0.6, 0.6, 0.6, 0.6, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0082082636747553,0.6391104,4,2.5564416,MP,data/source/MP/cleaned/cifs/MP-mp-1188948.cif,False,,data/final/MP/graphs/Ce1Ge1Pd2-MP-mp-1188948.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Nb3Os0.1Rh0.9,2,0.0499999999999999,2.0,False,Nb6Os0.2Rh1.8,Nb6Rh2,2.3,Other,True,Nb75Os2.5Rh22.5,Nb-Os-Rh,3,Supercon,Nb3Rh0.9Os0.1,MP-mp-1545,Nb6Rh2,Nb-Rh,Nb75Rh25,P m -3 n,cubic,5.186072,5.186072,5.186072,data/final/MP/cifs/Nb3Os0.1Rh0.9-MP-mp-1545-synth_doped.cif,data/source/MP/raw/cifs/mp-1545.cif,mp-1545,0.0,,2011-05-14 11:20:25,9.086567873234834,10.17188/1191190,"@misc{osti_1191190,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Rh (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191190"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700041'}},0.0,5.48706495,520.0,-77.37430008,-9.67178751,{'tags': ['Niobium rhodium (3/1)']},-77.37430008,-9.67178751,-0.2547317625000005,"['xas', 'elasticity', 'bandstructure']",True,"[105216, 645269]",True,2021-05-12 10:56:12.755000,NM,8,8,mp-1545,,Nb3Rh,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Rh_pv'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Rh': 1.0}",GGA,mp-1545,"['mp-942004', 'mp-943019', 'mp-935201', 'mp-1545', 'mp-1433570', 'mp-1700041', 'mp-1786474', 'mp-1591392']",0.00021655,"{'Nb': 6.0, 'Rh': 2.0}",139.48118416938905,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",3.1050783127424102e-06,0.00021655,0,0.0004331,MP,data/source/MP/cleaned/cifs/MP-mp-1545.cif,True,,data/final/MP/graphs/Nb3Os0.1Rh0.9-MP-mp-1545-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Fe0.6Ni0.4Zr2,3,0.0666666666666666,2.0,False,Fe1.2Ni0.8Zr4,Fe1Ni1Zr4,0.2,Other,True,Fe20Ni13.333Zr66.667,Fe-Ni-Zr,3,Supercon,Fe0.6Ni0.4Zr2,MP-mp-1215366,Zr4Fe1Ni1,Fe-Ni-Zr,Fe16.667Ni16.667Zr66.667,I 4 2 2,tetragonal,5.277062429600079,5.27706243,5.27706243,data/final/MP/cifs/Fe0.6Ni0.4Zr2-MP-mp-1215366-synth_doped.cif,data/source/MP/raw/cifs/mp-1215366.cif,mp-1215366,0.0,,2019-01-12 17:04:02.444000,7.137405118353338,,,{'GGA': {'task_id': 'mp-1735927'}},0.0198735593333339,4.811196,520.0,-49.72189863,-8.286983105,{'tags': []},-49.72189863,-8.286983105,-0.21349183,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,FM,6,5,mp-1215366,,Zr4FeNi,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Fe_pv', 'Ni_pv'], 'pot_type': 'paw'}","{'Zr': 4.0, 'Fe': 1.0, 'Ni': 1.0}",GGA,mp-1215366,"['mp-1215366', 'mp-1445478', 'mp-1735927', 'mp-1803005', 'mp-1627881']",0.2630035,"{'Zr': 4.0, 'Fe': 1.0, 'Ni': 1.0}",111.54187521523264,[],FM,True,97,1,"[0.0, 0.0, 0.0, 0.0, 0.3, 0.0]",0.0023578902496708,0.2630035,1,0.2630035,MP,data/source/MP/cleaned/cifs/MP-mp-1215366.cif,True,,data/final/MP/graphs/Fe0.6Ni0.4Zr2-MP-mp-1215366-synth_doped.json,0,True,422,0,0,0,0,4,0,0,0,0,1,0,1.0,False
V0.6Zr0.4,3,0.1333333333333333,6.0,False,V3.6Zr2.4,V4Zr2,8.3,Other,True,V60Zr40,V-Zr,2,Supercon,V0.6Zr0.4,MP-mp-258,Zr2V4,V-Zr,V66.667Zr33.333,F d -3 m,cubic,5.20454208,5.20454208,5.20454208,data/final/MP/cifs/V0.6Zr0.4-MP-mp-258-synth_doped.cif,data/source/MP/raw/cifs/mp-258.cif,mp-258,0.0,,2011-05-13 13:06:32,6.4334589517749015,10.17188/1201055,"@misc{osti_1201055,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrV2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201055"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686904'}},0.0488598200000005,4.89596571,520.0,-53.13786662,-8.856311103333333,"{'tags': ['Zirconium vanadium (1/2)', 'Vanadium zirconium deuteride (2/1/5)', 'Vanadium zirconium hydride (2/1/5)', 'Vanadium zirconium deuteride (2/1/4)', 'Vanadium zirconium (2/1)', 'High pressure experimental phase', 'Vanadium zirconium hydride (2/1/4)']}",-53.13786662,-8.856311103333333,0.0488598199999993,"['xas', 'elasticity', 'bandstructure']",True,"[183002, 653420, 638530, 167450, 187954, 106215, 183001, 653413, 183003, 653426, 653428, 638531, 653418, 638533, 653407, 653406, 638534, 653415, 653417, 653408, 653427, 106214, 656648, 638532, 653410, 653409, 653405, 653411]",True,2021-05-12 10:56:18.721000,NM,6,34,mp-258,,ZrV2,"{'functional': 'PBE', 'labels': ['Zr_sv', 'V_pv'], 'pot_type': 'paw'}","{'Zr': 1.0, 'V': 2.0}",GGA,mp-258,"['mp-930966', 'mp-930609', 'mp-913794', 'mp-258', 'mp-1071784', 'mp-1071714', 'mp-1071952', 'mp-1071810', 'mp-1072028', 'mp-1072052', 'mp-1072339', 'mp-1072434', 'mp-1072432', 'mp-1072450', 'mp-1072519', 'mp-1072536', 'mp-1072714', 'mp-1072786', 'mp-1072809', 'mp-1077011', 'mp-1076995', 'mp-1077180', 'mp-1077357', 'mp-1077570', 'mp-1440605', 'mp-1686904', 'mp-1928517', 'mp-1591452', 'mp-1596888', 'mp-1071821', 'mp-1072464', 'mp-1072551', 'mp-1072818', 'mp-1072068']",0.0235113,"{'Zr': 2.0, 'V': 4.0}",99.68563410059843,[],NM,False,227,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0004717088919005,0.0235113,0,0.0470226,MP,data/source/MP/cleaned/cifs/MP-mp-258.cif,True,,data/final/MP/graphs/V0.6Zr0.4-MP-mp-258-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ca0.01Cu1Y0.99O2.5,2,0.0044444444444444,8.0,False,Ca0.08Cu8Y7.92O20,Cu8Y8O20,0.0,Cuprate,True,Ca0.222Cu22.222Y22O55.55555555555556,Ca-Cu-Y-O,4,Supercon,Y0.99Ca0.01Cu1O2.5,MP-mp-510475,Y8Cu8O20,Cu-Y-O,Cu22.222Y22.222O55.55555555555556,P n m a,orthorhombic,6.265589,7.193043,11.246125,data/final/MP/cifs/Ca0.01Cu1Y0.99O2.5-MP-mp-510475-synth_doped.cif,data/source/MP/raw/cifs/mp-510475.cif,mp-510475,0.0719000000000003,,2014-02-25 21:09:39,5.044060924119679,10.17188/1262967,"@misc{osti_1262967,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Y2Cu2O5 (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1262967"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1742750'}},0.0403202018055566,2.84477169,520.0,-262.79623573,-7.2998954369444435,"{'tags': ['Diyttrium dicopper oxide', 'Delafossite', 'Yttrium copper oxide (1/1/2.5)']}",-262.79623573,-7.2998954369444435,-2.5847664823148144,"['xas', 'bandstructure']",True,"[171704, 51445, 171703]",True,2021-05-12 10:57:08.928000,FiM,36,7,mp-510475,oxide,Y2Cu2O5,"{'functional': 'PBE', 'labels': ['Y_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Y': 2.0, 'Cu': 2.0, 'O': 5.0}",GGA,mp-510475,"['mp-911384', 'mp-927964', 'mp-927436', 'mp-510475', 'mp-1398738', 'mp-1742750', 'mp-1826463']",0.0003444,"{'Y': 8.0, 'Cu': 8.0, 'O': 20.0}",506.8476838219266,[],FiM,True,62,2,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.1, -0.1, -0.1, -0.1, 0.1, 0.1, 0.1, 0.1, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.7179763151171847e-06,0.0003444,8,0.0013776,MP,data/source/MP/cleaned/cifs/MP-mp-510475.cif,True,,data/final/MP/graphs/Ca0.01Cu1Y0.99O2.5-MP-mp-510475-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
K1Tl1.5,3,0.1333333333333333,4.0,False,K4Tl6,K4Tl8,0.0,Other,True,K40Tl60,K-Tl,2,Supercon,K1Tl1.5,MP-mp-1211511,K4Tl8,K-Tl,K33.333Tl66.667,F d -3 m,cubic,8.81422038,8.81422038,8.81422038,data/final/MP/cifs/K1Tl1.5-MP-mp-1211511-synth_doped.cif,data/source/MP/raw/cifs/mp-1211511.cif,mp-1211511,0.0,,2019-01-12 13:51:51.312000,6.14355003471966,,,,0.1893273617564101,2.69390428,520.0,-22.51818151,-1.8765151258333328,"{'tags': ['b.c.c. atom arrangement', 'NaTl', 'KTl hp']}",-22.51818151,-1.8765151258333328,0.068713287611111,[],False,[],True,2021-05-12 11:00:28.874000,NM,12,4,mp-1211511,,KTl2,"{'functional': 'PBE', 'labels': ['K_sv', 'Tl_d'], 'pot_type': 'paw'}","{'K': 1.0, 'Tl': 2.0}",GGA,mp-1211511,"['mp-1211511', 'mp-1238963', 'mp-1333826', 'mp-1825954']",0.01037895,"{'K': 4.0, 'Tl': 8.0}",484.2133026058041,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",8.573866057909159e-05,0.01037895,0,0.0415158,MP,data/source/MP/cleaned/cifs/MP-mp-1211511.cif,True,,data/final/MP/graphs/K1Tl1.5-MP-mp-1211511-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
C2La0.9Ni1Th0.1,2,0.0499999999999999,1.0,True,C2La0.9Ni1Th0.1,C2La1Ni1,4.45,Other,True,C50La22.5Ni25Th2.5,C-La-Ni-Th,4,Supercon,La0.9Th0.1Ni1C2,MP-mp-1018048,La1Ni1C2,C-La-Ni,C50La25Ni25,A m m 2,orthorhombic,3.82731293,3.82731293,3.977635,data/final/MP/cifs/C2La0.9Ni1Th0.1-MP-mp-1018048-synth_doped.cif,data/source/MP/raw/cifs/mp-1018048.cif,mp-1018048,0.0,,2017-04-06 23:27:44,6.5955568384756855,10.17188/1350127,"@article{osti_1350127,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaNiC2 (SG:38) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1350127"",
    place = ""United States"",
    year = ""2017"",
    month = ""4""
}
",{'GGA': {'task_id': 'mp-1697101'}},0.0,8.87914765,520.0,-30.18892584,-7.54723146,"{'tags': ['LaNiC2', 'Lanthanum nickel carbide (1/1/2)', 'CeNiC2']}",-30.18892584,-7.54723146,-0.2548051637499995,"['bandstructure', 'elasticity']",True,[618179],True,2021-05-12 10:56:08.727000,NM,4,12,mp-1018048,,LaNiC2,"{'functional': 'PBE', 'labels': ['La', 'Ni_pv', 'C'], 'pot_type': 'paw'}","{'La': 1.0, 'Ni': 1.0, 'C': 2.0}",GGA,mp-1018048,"['mp-1018048', 'mp-1018270', 'mp-1018463', 'mp-1067001', 'mp-1067047', 'mp-1067181', 'mp-1115476', 'mp-1412950', 'mp-1697101', 'mp-1783297', 'mp-1594865', 'mp-1067093']",0.005804,"{'La': 1.0, 'Ni': 1.0, 'C': 2.0}",55.79651958097468,[],NM,False,38,0,"[0.0, -0.0, 0.0, 0.0]",0.0001040208250189,0.005804,0,0.005804,MP,data/source/MP/cleaned/cifs/MP-mp-1018048.cif,True,,data/final/MP/graphs/C2La0.9Ni1Th0.1-MP-mp-1018048-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
As2Ba0.7Fe2K0.3,3,0.0799999999999999,2.0,False,As4Ba1.4Fe4K0.6,As4Ba1Fe4K1,36.85,Ferrite,True,As40Ba14Fe40K6,As-Ba-Fe-K,4,Supercon,Ba0.7K0.3Fe2As2,MP-mp-1223517,K1Ba1Fe4As4,As-Ba-Fe-K,As40Ba10Fe40K10,C m m m,orthorhombic,5.479027,5.480024002658328,7.13170472,data/final/MP/cifs/As2Ba0.7Fe2K0.3-MP-mp-1223517-synth_doped.cif,data/source/MP/raw/cifs/mp-1223517.cif,mp-1223517,0.0,,2019-01-12 23:54:03.876000,5.87534599912672,,,{'GGA': {'task_id': 'mp-1743010'}},0.0132513644999994,4.21185628,520.0,-59.66633886,-5.966633886,{'tags': []},-59.66633886,-5.966633886,-0.4120461663000007,[],False,[],True,2021-05-12 11:00:52.054000,FM,10,4,mp-1223517,,KBa(FeAs)4,"{'functional': 'PBE', 'labels': ['K_sv', 'Ba_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'K': 1.0, 'Ba': 1.0, 'Fe': 4.0, 'As': 4.0}",GGA,mp-1223517,"['mp-1223517', 'mp-1396881', 'mp-1743010', 'mp-1827585']",0.9947188,"{'K': 1.0, 'Ba': 1.0, 'Fe': 4.0, 'As': 4.0}",197.6961518155852,[],FM,True,65,1,"[0.0, 0.0, 0.3, 0.3, 0.3, 0.3, 0.0, 0.0, 0.0, 0.0]",0.0050315536790412,0.9947188,4,0.9947188,MP,data/source/MP/cleaned/cifs/MP-mp-1223517.cif,True,,data/final/MP/graphs/As2Ba0.7Fe2K0.3-MP-mp-1223517-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Cu1La1Sr1Tl1O5.09,2,0.0088008800880088,0.9820636542239688,True,Cu0.982La0.982Sr0.982Tl0.982O5,Cu1La1Sr1Tl1O5,30.0,Cuprate,True,Cu11.001La11.001Sr11.001Tl11.001O55.99559955995599,Cu-La-Sr-Tl-O,5,Supercon,Tl1Sr1La1Cu1O5.09,MP-mp-1218170,Sr1La1Tl1Cu1O5,Cu-La-Sr-Tl-O,Cu11.111La11.111Sr11.111Tl11.111O55.55555555555556,P 4 m m,tetragonal,3.808314,3.808314,8.940218,data/final/MP/cifs/Cu1La1Sr1Tl1O5.09-MP-mp-1218170-synth_doped.cif,data/source/MP/raw/cifs/mp-1218170.cif,mp-1218170,0.0,,2019-01-12 19:23:00.047000,7.356801903811997,,,{'GGA': {'task_id': 'mp-1751231'}},0.0235770105555133,5.93274247,520.0,-55.01092809,-6.1123253433333335,{'tags': []},-55.01092809,-6.1123253433333335,-2.2909747433333343,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,9,5,mp-1218170,oxide,SrLaTlCuO5,"{'functional': 'PBE', 'labels': ['Sr_sv', 'La', 'Tl_d', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 1.0, 'La': 1.0, 'Tl': 1.0, 'Cu': 1.0, 'O': 5.0}",GGA,mp-1218170,"['mp-1218170', 'mp-1444406', 'mp-1751231', 'mp-1787322', 'mp-1618863']",0.0033628,"{'Sr': 1.0, 'La': 1.0, 'Tl': 1.0, 'Cu': 1.0, 'O': 5.0}",129.66226608171218,[],NM,False,99,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.593507040730561e-05,0.0033628,0,0.0033628,MP,data/source/MP/cleaned/cifs/MP-mp-1218170.cif,True,,data/final/MP/graphs/Cu1La1Sr1Tl1O5.09-MP-mp-1218170-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,1,0,0,0,1.0,False
B6Os8Y3,1,0.0,1.0,True,B6Os8Y3,B6Os8Y3,5.8,Other,True,B35.294Os47.059Y17.647,B-Os-Y,3,Supercon,Y3Os8B6,MP-mp-571209,Y3B6Os8,B-Os-Y,B35.294Os47.059Y17.647,F m m m,orthorhombic,5.525174001616807,5.529247380859764,9.262823913306834,data/final/MP/cifs/B6Os8Y3-MP-mp-571209.cif,data/source/MP/raw/cifs/mp-571209.cif,mp-571209,0.0,,2014-02-24 18:08:08,13.154066251373312,10.17188/1276139,"@misc{osti_1276139,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Y3(B3Os4)2 (SG:69) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276139"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677141'}},0.0249497004411782,6.55041405,520.0,-155.63896234,-9.15523307882353,{'tags': ['Yttrium osmium boride (3/6/8)']},-155.63896234,-9.15523307882353,-0.3731922550000006,"['xas', 'bandstructure']",True,[417473],True,2021-05-12 10:57:24.969000,NM,17,8,mp-571209,,Y3(B3Os4)2,"{'functional': 'PBE', 'labels': ['Y_sv', 'B', 'Os_pv'], 'pot_type': 'paw'}","{'Y': 3.0, 'B': 6.0, 'Os': 8.0}",GGA,mp-571209,"['mp-1000400', 'mp-1006874', 'mp-571209', 'mp-1381234', 'mp-1677141', 'mp-1777956', 'mp-1011617', 'mp-1603161']",0.0005143,"{'Y': 3.0, 'B': 6.0, 'Os': 8.0}",233.9719257085345,[],NM,False,69,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, -0.0, -0.0, 0.0, -0.0, -0.0, -0.0]",2.1981269694752952e-06,0.0005143,0,0.0005143,MP,data/source/MP/cleaned/cifs/MP-mp-571209.cif,False,,data/final/MP/graphs/B6Os8Y3-MP-mp-571209.json,0,True,mmm,0,0,0,7,0,0,0,0,0,0,1,1.0,False
B12Lu0.016Zr0.984,2,0.0024615384615384,1.0,True,B12Lu0.016Zr0.984,B12Zr1,5.65,Other,True,B92.308Lu0.123Zr7.569,B-Lu-Zr,3,Supercon,Zr0.984Lu0.016B12,MP-mp-1084,Zr1B12,B-Zr,B92.308Zr7.692,F m -3 m,cubic,5.23882121,5.23882121,5.23882121,data/final/MP/cifs/B12Lu0.016Zr0.984-MP-mp-1084-synth_doped.cif,data/source/MP/raw/cifs/mp-1084.cif,mp-1084,0.0,,2011-05-13 01:55:40,3.608852766615364,10.17188/1187388,"@misc{osti_1187388,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrB12 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187388"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701270'}},0.0158721137179496,6.88737846,520.0,-91.45613101,-7.03508700076923,{'tags': ['Zirconium boride (1/12)']},-91.45613101,-7.03508700076923,-0.2119791638461532,"['xas', 'elasticity', 'bandstructure']",True,"[615764, 615752, 35363, 23861, 409634, 76257, 409635]",True,2021-05-12 10:56:10.715000,NM,13,8,mp-1084,,ZrB12,"{'functional': 'PBE', 'labels': ['Zr_sv', 'B'], 'pot_type': 'paw'}","{'Zr': 1.0, 'B': 12.0}",GGA,mp-1084,"['mp-922210', 'mp-1084', 'mp-907581', 'mp-921959', 'mp-1427051', 'mp-1701270', 'mp-1798000', 'mp-1593176']",1.76e-05,"{'Zr': 1.0, 'B': 12.0}",101.66833997602512,[],NM,False,225,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.7311190488750325e-07,1.76e-05,0,1.76e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1084.cif,True,,data/final/MP/graphs/B12Lu0.016Zr0.984-MP-mp-1084-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Li1.08Ti1.92O4,2,0.0228571428571428,2.0,False,Li2.16Ti3.84O8,Li2Ti4O8,11.8,Oxide,True,Li15.429Ti27.429O57.142857142857146,Li-Ti-O,3,Supercon,Li1.08Ti1.92O4,MP-mp-5670,Li2Ti4O8,Li-Ti-O,Li14.286Ti28.571O57.142857142857146,F d -3 m,cubic,5.986032260000001,5.98603226,5.98603226,data/final/MP/cifs/Li1.08Ti1.92O4-MP-mp-5670-synth_doped.cif,data/source/MP/raw/cifs/mp-5670.cif,mp-5670,0.0,,2011-05-14 11:10:22,3.649565337909552,10.17188/1273637,"@misc{osti_1273637,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LiTi2O4 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1273637"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1699404'}},0.0,5.03116805,520.0,-114.93444733,-8.209603380714286,"{'tags': ['Lithium titanium oxide (1/2/4)', 'Lithium titanium(III) titanium(IV) oxide', 'Lithium titanium(III) titanium oxide', 'Lithium titanium titanium(III) oxide', 'Lithium titano(III)titanate', 'Spinel-(Li,Ti)']}",-114.93444733,-8.209603380714286,-3.2462103921428564,"['bandstructure', 'elasticity']",True,"[72859, 78482, 154982, 81329, 15789, 48127]",True,2021-05-12 10:56:22.739000,NM,14,7,mp-5670,oxide,LiTi2O4,"{'functional': 'PBE', 'labels': ['Li_sv', 'Ti_pv', 'O'], 'pot_type': 'paw'}","{'Li': 1.0, 'Ti': 2.0, 'O': 4.0}",GGA,mp-5670,"['mp-923613', 'mp-922835', 'mp-908534', 'mp-5670', 'mp-1418091', 'mp-1699404', 'mp-1787951']",0.0521081,"{'Li': 2.0, 'Ti': 4.0, 'O': 8.0}",151.67086379131675,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0006871207652868,0.0521081,0,0.1042162,MP,data/source/MP/cleaned/cifs/MP-mp-5670.cif,True,,data/final/MP/graphs/Li1.08Ti1.92O4-MP-mp-5670-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
B2C2Dy1,1,0.0,2.0,False,B4C4Dy2,B4C4Dy2,0.0,Other,True,B40C40Dy20,B-C-Dy,3,Supercon,Dy1B2C2,MP-mp-2958,Dy2B4C4,B-C-Dy,B40C40Dy20,P 4/m b m,tetragonal,3.570963,5.35165,5.35165,data/final/MP/cifs/B2C2Dy1-MP-mp-2958.cif,data/source/MP/raw/cifs/mp-2958.cif,mp-2958,0.0,,2011-05-13 01:27:48,6.758977207215625,10.17188/1204030,"@misc{osti_1204030,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Dy(BC)2 (SG:127) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204030"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696918'}},0.0,6.44595105,520.0,-77.30668644,-7.730668644,"{'tags': ['Dysprosium boride carbide (1/2/2)', 'Dysprosium boride carbide (1/2/2) - III', 'Dysprosium boride carbide (1/2/2) - II']}",-77.30668644,-7.730668644,-0.4468422876666665,"['xas', 'elasticity', 'bandstructure']",True,"[94040, 88557, 88558]",True,2021-05-12 10:56:18.721000,NM,10,8,mp-2958,,Dy(BC)2,"{'functional': 'PBE', 'labels': ['Dy_3', 'B', 'C'], 'pot_type': 'paw'}","{'Dy': 1.0, 'B': 2.0, 'C': 2.0}",GGA,mp-2958,"['mp-926893', 'mp-910593', 'mp-2958', 'mp-926354', 'mp-1431063', 'mp-1696918', 'mp-1797848', 'mp-1588252']",0.00016785,"{'Dy': 2.0, 'B': 4.0, 'C': 4.0}",102.27294354121176,[],NM,False,127,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.282393058968981e-06,0.00016785,0,0.0003357,MP,data/source/MP/cleaned/cifs/MP-mp-2958.cif,False,,data/final/MP/graphs/B2C2Dy1-MP-mp-2958.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
C3Y2,1,0.0,4.0,False,C12Y8,C12Y8,14.85625,Other,True,C60Y40,C-Y,2,Supercon,C3Y2,MP-mp-1695,Y8C12,C-Y,C60Y40,I -4 3 d,cubic,7.157130121586623,7.15713012,7.157130119999999,data/final/MP/cifs/C3Y2-MP-mp-1695.cif,data/source/MP/raw/cifs/mp-1695.cif,mp-1695,0.0,,2011-05-15 19:04:09,5.032814278610675,10.17188/1192250,"@misc{osti_1192250,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Y2C3 (SG:220) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1192250"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1669276'}},0.0442951846600028,5.37066524,520.0,-167.58612106,-8.379306053,{'tags': ['Yttrium carbide (2/3)']},-167.58612106,-8.379306053,-0.256649187666666,"['xas', 'elasticity', 'bandstructure']",True,"[155382, 77572, 619114, 601153, 155383]",True,2021-05-12 10:56:14.760000,NM,20,8,mp-1695,,Y2C3,"{'functional': 'PBE', 'labels': ['Y_sv', 'C'], 'pot_type': 'paw'}","{'Y': 2.0, 'C': 3.0}",GGA,mp-1695,"['mp-927691', 'mp-927238', 'mp-911194', 'mp-1695', 'mp-1425550', 'mp-1669276', 'mp-1872240', 'mp-1598231']",0.0001762,"{'Y': 8.0, 'C': 12.0}",282.22458798795367,[],NM,False,220,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.497301900676646e-06,0.0001762,0,0.0007048,MP,data/source/MP/cleaned/cifs/MP-mp-1695.cif,False,,data/final/MP/graphs/C3Y2-MP-mp-1695.json,0,True,-43m,5,0,0,0,0,0,0,0,0,1,0,1.0,False
Er3Ge13Ru4,1,0.0,2.0,False,Er6Ge26Ru8,Er6Ge26Ru8,0.0,Other,True,Er15Ge65Ru20,Er-Ge-Ru,3,Supercon,Er3Ru4Ge13,MP-mp-1198321,Er6Ge26Ru8,Er-Ge-Ru,Er15Ge65Ru20,P m -3 n,cubic,9.044625,9.044625,9.044625,data/final/MP/cifs/Er3Ge13Ru4-MP-mp-1198321.cif,data/source/MP/raw/cifs/mp-1198321.cif,mp-1198321,0.0,,2019-01-12 03:07:39.381000,8.30553511921592,,,,0.0124563386388878,4.72809263,520.0,-239.13035794,-5.978258948500001,"{'tags': ['Yb3Rh4Sn13', 'Erbium ruthenium germanide (3/4/13)', 'Er3Ru4Ge13']}",-239.13035794,-5.978258948500001,-0.4332550902500003,[],False,[630655],True,2021-05-12 11:00:03.538000,NM,40,3,mp-1198321,,Er3Ge13Ru4,"{'functional': 'PBE', 'labels': ['Er_3', 'Ge_d', 'Ru_pv'], 'pot_type': 'paw'}","{'Er': 3.0, 'Ge': 13.0, 'Ru': 4.0}",GGA,mp-1198321,"['mp-1198321', 'mp-1370412', 'mp-1885470']",0.0008832,"{'Er': 6.0, 'Ge': 26.0, 'Ru': 8.0}",739.8977314126817,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.3873569616539093e-06,0.0008832,0,0.0017664,MP,data/source/MP/cleaned/cifs/MP-mp-1198321.cif,False,,data/final/MP/graphs/Er3Ge13Ru4-MP-mp-1198321.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
As2Fe1.85Pd0.15Sr1,3,0.0599999999999999,1.0,True,As2Fe1.85Pd0.15Sr1,As2Fe2Sr1,8.7,Ferrite,True,As40Fe37Pd3Sr20,As-Fe-Pd-Sr,4,Supercon,Sr1Fe1.85Pd0.15As2,MP-mp-4488,Sr1Fe2As2,As-Fe-Sr,As40Fe40Sr20,I 4/m m m,tetragonal,3.9729799997357778,3.9729799997357778,6.45523327,data/final/MP/cifs/As2Fe1.85Pd0.15Sr1-MP-mp-4488-synth_doped.cif,data/source/MP/raw/cifs/mp-4488.cif,mp-4488,0.0,,2011-05-13 03:37:13,6.319998834487784,10.17188/1208187,"@misc{osti_1208187,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208187"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672865'}},0.0,5.13397273,520.0,-30.61898897,-6.123797794,"{'tags': ['Strontium diiron arsenide - HT', 'Strontium diiron arsenide', 'Strontium diiron diarsenide', 'Iron strontium arsenide (2/1/2)', 'Strontium diiron arsenide - LT']}",-30.61898897,-6.123797794,-0.5342483613333335,"['xas', 'elasticity', 'bandstructure']",True,"[182330, 181993, 610527, 163209, 163208, 163869]",True,2021-05-12 10:56:20.740000,NM,5,8,mp-4488,,Sr(FeAs)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-4488,"['mp-906356', 'mp-920135', 'mp-919110', 'mp-4488', 'mp-1439153', 'mp-1672865', 'mp-1873948', 'mp-1592272']",0.0029206,"{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",91.7377588211838,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",3.183640016422098e-05,0.0029206,0,0.0029206,MP,data/source/MP/cleaned/cifs/MP-mp-4488.cif,True,,data/final/MP/graphs/As2Fe1.85Pd0.15Sr1-MP-mp-4488-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2Gd0.2Lu0.8Ru1,3,0.0999999999999999,4.0,False,B8Gd0.8Lu3.2Ru4,B8Lu4Ru4,4.84,Other,True,B50Gd5Lu20Ru25,B-Gd-Lu-Ru,4,Supercon,Lu0.8Gd0.2Ru1B2,MP-mp-29239,Lu4B8Ru4,B-Lu-Ru,B50Lu25Ru25,P n m a,orthorhombic,5.262881,5.829858,6.288542,data/final/MP/cifs/B2Gd0.2Lu0.8Ru1-MP-mp-29239-synth_doped.cif,data/source/MP/raw/cifs/mp-29239.cif,mp-29239,0.0,,2014-02-24 06:45:28,10.246997128776938,10.17188/1203618,"@misc{osti_1203618,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LuB2Ru (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1203618"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677301'}},0.0,6.02142224,520.0,-119.30016105,-7.456260065625,"{'tags': ['Lutetium ruthenium(III) boride', 'Lutetium ruthenium boride (1/1/2)']}",-119.30016105,-7.456260065625,-0.6677291364583331,"['xas', 'bandstructure']",True,"[614715, 100774]",True,2021-05-12 10:57:03.017000,NM,16,8,mp-29239,,LuB2Ru,"{'functional': 'PBE', 'labels': ['Lu_3', 'B', 'Ru_pv'], 'pot_type': 'paw'}","{'Lu': 1.0, 'B': 2.0, 'Ru': 1.0}",GGA,mp-29239,"['mp-909473', 'mp-925177', 'mp-924466', 'mp-29239', 'mp-1381674', 'mp-1677301', 'mp-1784701', 'mp-1603819']",4.565e-05,"{'Lu': 4.0, 'B': 8.0, 'Ru': 4.0}",192.9440954509509,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",9.4638812124945e-07,4.565e-05,0,0.0001826,MP,data/source/MP/cleaned/cifs/MP-mp-29239.cif,True,,data/final/MP/graphs/B2Gd0.2Lu0.8Ru1-MP-mp-29239-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
As2Nb1,1,0.0,2.0,False,As4Nb2,As4Nb2,0.0,Other,True,As66.667Nb33.333,As-Nb,2,Supercon,As2Nb1,MP-mp-7598,Nb2As4,As-Nb,As66.667Nb33.333,C 1 2/m 1,monoclinic,3.417782000320062,5.02539268,7.131429614954367,data/final/MP/cifs/As2Nb1-MP-mp-7598.cif,data/source/MP/raw/cifs/mp-7598.cif,mp-7598,0.0,,2011-05-28 02:18:07,7.264790745433189,10.17188/1291502,"@misc{osti_1291502,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NbAs2 (SG:12) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1291502"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696160'}},0.0,5.88250339,520.0,-41.99607088,-6.999345146666666,{'tags': ['Niobium arsenide (1/1)']},-41.99607088,-6.999345146666666,-0.5261645299999991,"['bandstructure', 'elasticity']",True,[81218],True,2021-05-12 10:56:29.056000,NM,6,6,mp-7598,,NbAs2,"{'functional': 'PBE', 'labels': ['Nb_pv', 'As'], 'pot_type': 'paw'}","{'Nb': 1.0, 'As': 2.0}",GGA,mp-7598,"['mp-9358', 'mp-7598', 'mp-1431262', 'mp-1696160', 'mp-1805479', 'mp-1590419']",0.00043875,"{'Nb': 2.0, 'As': 4.0}",110.97227025957676,[],NM,False,12,0,"[0, 0, 0, 0, 0, 0]",7.907380807362305e-06,0.00043875,0,0.0008775,MP,data/source/MP/cleaned/cifs/MP-mp-7598.cif,False,,data/final/MP/graphs/As2Nb1-MP-mp-7598.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
Cd0.04Cu0.96S2,2,0.0266666666666666,2.0,False,Cd0.08Cu1.92S4,Cu2S4,1.3,Other,True,Cd1.333Cu32S66.667,Cd-Cu-S,3,Supercon,Cd0.04Cu0.96S2,MP-mp-849086,Cu2S4,Cu-S,Cu33.333S66.667,P n n m,orthorhombic,3.65029,4.722985,5.825625,data/final/MP/cifs/Cd0.04Cu0.96S2-MP-mp-849086-synth_doped.cif,data/source/MP/raw/cifs/mp-849086.cif,mp-849086,0.0,,2014-07-02 17:22:08,4.221841269732692,10.17188/1308143,"@misc{osti_1308143,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CuS2 (SG:58) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1308143"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687981'}},0.0,5.92922274,520.0,-25.32825824,-4.221376373333333,{'tags': ['Copper sulfide (1/2)']},-25.32825824,-4.221376373333333,-0.4326742387500004,['bandstructure'],True,"[628781, 628782]",True,2021-05-12 10:59:07.834000,NM,6,9,mp-849086,,CuS2,"{'functional': 'PBE', 'labels': ['Cu_pv', 'S'], 'pot_type': 'paw'}","{'Cu': 1.0, 'S': 2.0}",GGA,mp-849086,"['mp-870725', 'mp-849086', 'mp-871043', 'mp-1077309', 'mp-1300037', 'mp-1687981', 'mp-1925171', 'mp-871218', 'mp-1589773']",1.55e-06,"{'Cu': 2.0, 'S': 4.0}",100.43531829923351,[],NM,False,58,0,"[0, 0, 0, 0, 0, 0]",3.0865636237284246e-08,1.55e-06,0,3.1e-06,MP,data/source/MP/cleaned/cifs/MP-mp-849086.cif,True,,data/final/MP/graphs/Cd0.04Cu0.96S2-MP-mp-849086-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ba0.075Cu1La1.925O4,2,0.0214285714285714,1.0,True,Ba0.075Cu1La1.925O4,Cu1La2O4,24.0,Cuprate,True,Ba1.071Cu14.286La27.5O57.142857142857146,Ba-Cu-La-O,4,Supercon,La1.925Ba0.075Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ba0.075Cu1La1.925O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ba0.075Cu1La1.925O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu1La2O4.2,2,0.0238095238095238,0.9522936507936508,True,Cu0.952La1.905O4,Cu1La2O4,0.0,Cuprate,True,Cu13.889La27.778O58.333333333333336,Cu-La-O,3,Supercon,La2Cu1O4.2,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La2O4.2-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La2O4.2-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ga41Mo8,1,0.0,1.0,True,Ga41Mo8,Ga41Mo8,9.7,Other,True,Ga83.673Mo16.327,Ga-Mo,2,Supercon,Ga41Mo8,MP-mp-1195805,Ga41Mo8,Ga-Mo,Ga83.673Mo16.327,R -3,trigonal,9.60437027,9.60437027,9.60437072,data/final/MP/cifs/Ga41Mo8-MP-mp-1195805.cif,data/source/MP/raw/cifs/mp-1195805.cif,mp-1195805,0.0,,2019-01-12 01:06:07.067000,6.875757393531337,,,,0.0026373337614353,4.44769082,520.0,-217.45050782,-4.4377654657142855,{'tags': ['Molybdenum gallide (8/41)']},-217.45050782,-4.4377654657142855,-0.1333352379081633,[],False,[634698],True,2021-05-12 10:59:59.077000,NM,49,3,mp-1195805,,Ga41Mo8,"{'functional': 'PBE', 'labels': ['Ga_d', 'Mo_pv'], 'pot_type': 'paw'}","{'Ga': 41.0, 'Mo': 8.0}",GGA,mp-1195805,"['mp-1195805', 'mp-1351787', 'mp-1897913']",0.0023965,"{'Ga': 41.0, 'Mo': 8.0}",875.7413879995723,[],NM,False,148,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.7365384722472093e-06,0.0023965,0,0.0023965,MP,data/source/MP/cleaned/cifs/MP-mp-1195805.cif,False,,data/final/MP/graphs/Ga41Mo8-MP-mp-1195805.json,0,True,-3,0,0,0,0,0,0,2,1,0,0,0,1.0,False
Dy5Ir4Si10,1,0.0,2.0,False,Dy10Ir8Si20,Dy10Ir8Si20,0.0,Other,True,Dy26.316Ir21.053Si52.632,Dy-Ir-Si,3,Supercon,Dy5Ir4Si10,MP-mp-1198889,Dy10Si20Ir8,Dy-Ir-Si,Dy26.316Ir21.053Si52.632,P 4/m b m,tetragonal,4.273715,12.629071,12.629071,data/final/MP/cifs/Dy5Ir4Si10-MP-mp-1198889.cif,data/source/MP/raw/cifs/mp-1198889.cif,mp-1198889,0.0,,2019-01-12 03:35:14.435000,9.073240289190029,,,{'GGA': {'task_id': 'mp-1684950'}},0.0101873634210534,7.07040131,520.0,-259.21408731,-6.821423350263158,"{'tags': ['Sc5Co4Si10', 'Dy5Ir4Si10 lt', 'Dysprosium iridium silicide (5/4/10)']}",-259.21408731,-6.821423350263158,-0.8555919776315791,[],False,[629891],True,2021-05-12 11:00:03.538000,NM,38,3,mp-1198889,,Dy5(Si5Ir2)2,"{'functional': 'PBE', 'labels': ['Dy_3', 'Si', 'Ir'], 'pot_type': 'paw'}","{'Dy': 5.0, 'Si': 10.0, 'Ir': 4.0}",GGA,mp-1198889,"['mp-1198889', 'mp-1376370', 'mp-1684950']",0.00225045,"{'Dy': 10.0, 'Si': 20.0, 'Ir': 8.0}",681.6294826678951,[],NM,False,127,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",6.603147478867105e-06,0.00225045,0,0.0045009,MP,data/source/MP/cleaned/cifs/MP-mp-1198889.cif,False,,data/final/MP/graphs/Dy5Ir4Si10-MP-mp-1198889.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Br2Mo6S6,1,0.0,1.0,True,Br2Mo6S6,Br2Mo6S6,13.4,Chevrel,True,Br14.286Mo42.857S42.857,Br-Mo-S,3,Supercon,Mo6S6Br2,MP-mp-29231,Mo6S6Br2,Br-Mo-S,Br14.286Mo42.857S42.857,R -3,trigonal,6.56415841,6.56415841,6.5641579,data/final/MP/cifs/Br2Mo6S6-MP-mp-29231.cif,data/source/MP/raw/cifs/mp-29231.cif,mp-29231,0.0,,2014-02-25 23:31:59,5.49408881603104,10.17188/1203612,"@misc{osti_1203612,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Mo3S3Br (SG:148) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1203612"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1705639'}},0.0271367948809517,5.24389172,520.0,-102.76613506,-7.340438218571428,{'tags': ['Hexamolybdenum hexasulfide dibromide']},-102.76613506,-7.340438218571428,-0.9775508495535712,"['xas', 'bandstructure']",True,[100599],True,2021-05-12 10:57:03.017000,NM,14,5,mp-29231,,Mo3S3Br,"{'functional': 'PBE', 'labels': ['Mo_pv', 'S', 'Br'], 'pot_type': 'paw'}","{'Mo': 3.0, 'S': 3.0, 'Br': 1.0}",GGA,mp-29231,"['mp-29231', 'mp-505354', 'mp-1436925', 'mp-1705639', 'mp-1604380']",0.0002927,"{'Mo': 6.0, 'S': 6.0, 'Br': 2.0}",280.43071345705494,[],NM,False,148,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.087503158207555e-06,0.0002927,0,0.0005854,MP,data/source/MP/cleaned/cifs/MP-mp-29231.cif,False,,data/final/MP/graphs/Br2Mo6S6-MP-mp-29231.json,0,True,-3,0,0,0,0,0,0,2,1,0,0,0,1.0,False
La2Ni1O4.067,2,0.0081263013200186,3.9340345873289073,False,La7.868Ni3.934O16,La8Ni4O16,0.0,Oxide,True,La28.301Ni14.15O57.549172208858074,La-Ni-O,3,Supercon,La2Ni1O4.067,MP-mp-21874,La8Ni4O16,La-Ni-O,La28.571Ni14.286O57.142857142857146,P 42/n c m,tetragonal,5.607892,5.607892,12.423229,data/final/MP/cifs/La2Ni1O4.067-MP-mp-21874-synth_doped.cif,data/source/MP/raw/cifs/mp-21874.cif,mp-21874,0.0346000000000001,,2013-06-09 07:15:40,6.808946783295827,,,{'GGA+U': {'task_id': 'mp-1767279'}},0.0468913437499995,7.93744356,520.0,-206.53456634,-7.376234512142857,"{'tags': ['Dilanthanum niccolate', 'Dilanthanum niccolate - LT']}",-206.53456634,-7.376234512142857,-3.0683780964285714,"['xas', 'bandstructure']",True,"[63396, 65920, 69753, 56319]",True,2021-05-12 10:57:01.079000,AFM,28,17,mp-21874,oxide,La2NiO4,"{'functional': 'PBE', 'labels': ['La', 'Ni_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Ni': 1.0, 'O': 4.0}",GGA+U,mp-21874,"['mp-795798', 'mp-819481', 'mp-616538', 'mp-25711', 'mp-21874', 'mp-1272397', 'mp-1287242', 'mp-1273910', 'mp-1289543', 'mp-1295462', 'mp-1287775', 'mp-1281171', 'mp-1283506', 'mp-1422956', 'mp-1767279', 'mp-820353', 'mp-1629609']",2.9e-06,"{'La': 8.0, 'Ni': 4.0, 'O': 16.0}",390.6913293848223,[],AFM,True,14,1,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -1.7, -1.7, 1.7, 1.7, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.9690958379509523e-08,2.9e-06,4,1.16e-05,MP,data/source/MP/cleaned/cifs/MP-mp-21874.cif,True,,data/final/MP/graphs/La2Ni1O4.067-MP-mp-21874-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As2Ba0.66Co0.2Fe1.8K0.34,3,0.144,2.0,False,As4Ba1.32Co0.4Fe3.6K0.68,As4Ba1Fe4K1,19.0,Ferrite,True,As40Ba13.2Co4Fe36K6.8,As-Ba-Co-Fe-K,5,Supercon,Ba0.66K0.34Fe1.8Co0.2As2,MP-mp-1223517,K1Ba1Fe4As4,As-Ba-Fe-K,As40Ba10Fe40K10,C m m m,orthorhombic,5.479027,5.480024002658328,7.13170472,data/final/MP/cifs/As2Ba0.66Co0.2Fe1.8K0.34-MP-mp-1223517-synth_doped.cif,data/source/MP/raw/cifs/mp-1223517.cif,mp-1223517,0.0,,2019-01-12 23:54:03.876000,5.87534599912672,,,{'GGA': {'task_id': 'mp-1743010'}},0.0132513644999994,4.21185628,520.0,-59.66633886,-5.966633886,{'tags': []},-59.66633886,-5.966633886,-0.4120461663000007,[],False,[],True,2021-05-12 11:00:52.054000,FM,10,4,mp-1223517,,KBa(FeAs)4,"{'functional': 'PBE', 'labels': ['K_sv', 'Ba_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'K': 1.0, 'Ba': 1.0, 'Fe': 4.0, 'As': 4.0}",GGA,mp-1223517,"['mp-1223517', 'mp-1396881', 'mp-1743010', 'mp-1827585']",0.9947188,"{'K': 1.0, 'Ba': 1.0, 'Fe': 4.0, 'As': 4.0}",197.6961518155852,[],FM,True,65,1,"[0.0, 0.0, 0.3, 0.3, 0.3, 0.3, 0.0, 0.0, 0.0, 0.0]",0.0050315536790412,0.9947188,4,0.9947188,MP,data/source/MP/cleaned/cifs/MP-mp-1223517.cif,True,,data/final/MP/graphs/As2Ba0.66Co0.2Fe1.8K0.34-MP-mp-1223517-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Ir0.7Y0.3,3,0.0666666666666666,6.0,False,Ir4.2Y1.8,Ir4Y2,2.16,Other,True,Ir70Y30,Ir-Y,2,Supercon,Ir0.7Y0.3,MP-mp-2762,Y2Ir4,Ir-Y,Ir66.667Y33.333,F d -3 m,cubic,5.36959071,5.36959071,5.36959071,data/final/MP/cifs/Ir0.7Y0.3-MP-mp-2762-synth_doped.cif,data/source/MP/raw/cifs/mp-2762.cif,mp-2762,0.0,,2011-05-13 07:37:37,14.35964193164293,10.17188/1201821,"@misc{osti_1201821,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YIr2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201821"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1690588'}},0.0,6.95640963,520.0,-53.17609962,-8.86268327,{'tags': ['Iridium yttrium (2/1)']},-53.17609962,-8.86268327,-0.8149059522222224,"['xas', 'elasticity', 'bandstructure']",True,"[641175, 641183, 104602, 641180, 104601]",True,2021-05-12 10:56:18.721000,NM,6,8,mp-2762,,YIr2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ir'], 'pot_type': 'paw'}","{'Y': 1.0, 'Ir': 2.0}",GGA,mp-2762,"['mp-941753', 'mp-941895', 'mp-935077', 'mp-2762', 'mp-1437563', 'mp-1690588', 'mp-1805279', 'mp-1596052']",0.0006015,"{'Y': 2.0, 'Ir': 4.0}",109.47338609767904,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",1.0988972232270298e-05,0.0006015,0,0.001203,MP,data/source/MP/cleaned/cifs/MP-mp-2762.cif,True,,data/final/MP/graphs/Ir0.7Y0.3-MP-mp-2762-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ge3U1,1,0.0,1.0,True,Ge3U1,Ge3U1,0.0,Heavy_fermion,True,Ge75U25,Ge-U,2,Supercon,Ge3U1,MP-mp-2607,U1Ge3,Ge-U,Ge75U25,P m -3 m,cubic,4.20564,4.20564,4.20564,data/final/MP/cifs/Ge3U1-MP-mp-2607.cif,data/source/MP/raw/cifs/mp-2607.cif,mp-2607,0.0,,2011-05-13 06:10:23,10.178153478754442,10.17188/1201100,"@misc{osti_1201100,
    author = ""Persson, Kristin"",
    title = ""Materials Data on UGe3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201100"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688578'}},0.0,7.62915431,520.0,-26.45013452,-6.61253363,"{'tags': ['Germanium uranium (3/1)', 'Uranium germanide (1/3)']}",-26.45013452,-6.61253363,-0.3224102362499996,"['xas', 'bandstructure']",True,"[638071, 56050, 638073, 638076, 638072]",True,2021-05-12 10:57:01.079000,NM,4,8,mp-2607,,UGe3,"{'functional': 'PBE', 'labels': ['U', 'Ge_d'], 'pot_type': 'paw'}","{'U': 1.0, 'Ge': 3.0}",GGA,mp-2607,"['mp-911318', 'mp-927734', 'mp-927323', 'mp-2607', 'mp-1439174', 'mp-1688578', 'mp-1800235', 'mp-1590267']",6.09e-05,"{'U': 1.0, 'Ge': 3.0}",74.38686978036614,[],NM,False,221,0,"[0, 0, 0, 0]",8.186928711990796e-07,6.09e-05,0,6.09e-05,MP,data/source/MP/cleaned/cifs/MP-mp-2607.cif,False,,data/final/MP/graphs/Ge3U1-MP-mp-2607.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Pu1,1,0.0,2.0,False,Pu2,Pu2,0.0,Heavy_fermion,True,Pu100,Pu,1,Supercon,Pu1,MP-mp-571261,Pu2,Pu,Pu100,F d d d,orthorhombic,3.330226545628268,3.33022654,3.96714963,data/final/MP/cifs/Pu1-MP-mp-571261.cif,data/source/MP/raw/cifs/mp-571261.cif,mp-571261,0.0,,2014-02-16 07:49:30,22.754911785635407,10.17188/1276170,"@misc{osti_1276170,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Pu (SG:70) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276170"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672081'}},0.0,17.30408781,520.0,-28.53567666,-14.26783833,"{'tags': ['Plutonium - gamma, HT']}",-28.53567666,-14.26783833,0.0,"['xas', 'bandstructure']",True,[44866],True,2021-05-12 10:57:26.891000,NM,2,13,mp-571261,,Pu,"{'functional': 'PBE', 'labels': ['Pu'], 'pot_type': 'paw'}",{'Pu': 1.0},GGA,mp-571261,"['mp-942971', 'mp-571261', 'mp-921165', 'mp-942573', 'mp-1058353', 'mp-1058639', 'mp-1059017', 'mp-1186825', 'mp-1439292', 'mp-1672081', 'mp-1794028', 'mp-1638389', 'mp-1058712']",0.00104885,{'Pu': 2.0},35.61178668301184,[],NM,False,70,0,"[0, 0]",5.8904654761415886e-05,0.00104885,0,0.0020977,MP,data/source/MP/cleaned/cifs/MP-mp-571261.cif,False,,data/final/MP/graphs/Pu1-MP-mp-571261.json,0,True,mmm,0,0,0,7,0,0,0,0,0,0,1,1.0,False
Cu1La1Nd0.85Th0.15O4,2,0.0428571428571428,1.0,True,Cu1La1Nd0.85Th0.15O4,Cu1La1Nd1O4,16.0,Cuprate,True,Cu14.286La14.286Nd12.143Th2.143O57.142857142857146,Cu-La-Nd-Th-O,5,Supercon,Nd0.85La1Th0.15Cu1O4,MP-mp-1222802,La1Nd1Cu1O4,Cu-La-Nd-O,Cu14.286La14.286Nd14.286O57.142857142857146,I 4 m m,tetragonal,3.990583997710408,3.990583997710408,6.86113394,data/final/MP/cifs/Cu1La1Nd0.85Th0.15O4-MP-mp-1222802-synth_doped.cif,data/source/MP/raw/cifs/mp-1222802.cif,mp-1222802,0.0,,2019-01-12 23:17:08.795000,6.847501059175971,,,{'GGA': {'task_id': 'mp-1757801'}},0.0221520027777764,4.77137154,520.0,-51.89321393,-7.413316275714286,{'tags': []},-51.89321393,-7.413316275714286,-3.006573275,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,7,5,mp-1222802,oxide,LaNdCuO4,"{'functional': 'PBE', 'labels': ['La', 'Nd_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 1.0, 'Nd': 1.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1222802,"['mp-1222802', 'mp-1396444', 'mp-1757801', 'mp-1797162', 'mp-1627120']",0.006009,"{'La': 1.0, 'Nd': 1.0, 'Cu': 1.0, 'O': 4.0}",99.5937875942181,[],NM,False,107,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",6.03350886149936e-05,0.006009,0,0.006009,MP,data/source/MP/cleaned/cifs/MP-mp-1222802.cif,True,,data/final/MP/graphs/Cu1La1Nd0.85Th0.15O4-MP-mp-1222802-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,0,0,1,0,1.0,False
Bi2Ca1Cu2Sr2O8.245,2,0.0149994533726904,1.9406140084899937,False,Bi3.881Ca1.941Cu3.881Sr3.881O16,Bi4Ca2Cu4Sr4O16,90.0,Cuprate,True,Bi13.119Ca6.56Cu13.119Sr13.119O54.08330600196786,Bi-Ca-Cu-Sr-O,5,Supercon,Bi2Sr2Ca1Cu2O8.245,MP-mp-1218930,Sr4Ca2Cu4Bi4O16,Bi-Ca-Cu-Sr-O,Bi13.333Ca6.667Cu13.333Sr13.333O53.333333333333336,C c c 2,orthorhombic,5.417115,5.472898000129128,16.11398919,data/final/MP/cifs/Bi2Ca1Cu2Sr2O8.245-MP-mp-1218930-synth_doped.cif,data/source/MP/raw/cifs/mp-1218930.cif,mp-1218930,0.0,,2019-01-12 20:01:06.544000,6.266668983881059,,,,0.039252223722225,4.51768334,520.0,-173.15021002,-5.771673667333333,{'tags': []},-173.15021002,-5.771673667333333,-2.074956548222222,[],False,[],True,2021-05-12 11:00:42.526000,NM,30,3,mp-1218930,oxide,Sr2CaCu2(BiO4)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'O': 8.0}",GGA,mp-1218930,"['mp-1218930', 'mp-1359698', 'mp-1817714']",0.00011165,"{'Sr': 4.0, 'Ca': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'O': 16.0}",470.7976286073367,[],NM,False,37,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.743014544498498e-07,0.00011165,0,0.0002233,MP,data/source/MP/cleaned/cifs/MP-mp-1218930.cif,True,,data/final/MP/graphs/Bi2Ca1Cu2Sr2O8.245-MP-mp-1218930-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
Ba1Bi0.17Pb0.83O3,3,0.068,2.0,False,Ba2Bi0.34Pb1.66O6,Ba2Pb2O6,7.6,Oxide,True,Ba20Bi3.4Pb16.6O60,Ba-Bi-Pb-O,4,Supercon,Ba1Pb0.83Bi0.17O3,MP-mp-22230,Ba2Pb2O6,Ba-Pb-O,Ba20Pb20O60,I m m a,orthorhombic,6.133862002250079,6.155866510000001,6.155866509646406,data/final/MP/cifs/Ba1Bi0.17Pb0.83O3-MP-mp-22230-synth_doped.cif,data/source/MP/raw/cifs/mp-22230.cif,mp-22230,0.2093999999999996,,2014-02-21 02:34:22,7.878976238337828,10.17188/1197446,"@misc{osti_1197446,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BaPbO3 (SG:74) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197446"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677620'}},0.0,2.99294363,520.0,-57.91751158,-5.791751158,"{'tags': ['Barium plumbate(IV)', 'Barium lead oxide', 'Barium plumbate', 'Barium lead(IV) oxide']}",-57.91751158,-5.791751158,-2.1088509750000006,"['xas', 'bandstructure']",True,"[252031, 94313, 154038, 245600, 51657, 94312, 245601, 78681, 154039, 15933, 67811, 245602]",True,2021-05-12 10:56:59.077000,NM,10,7,mp-22230,oxide,BaPbO3,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pb_d', 'O'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Pb': 1.0, 'O': 3.0}",GGA,mp-22230,"['mp-547522', 'mp-22230', 'mp-1078282', 'mp-1437547', 'mp-1677620', 'mp-1828697', 'mp-1589590']",5.66e-05,"{'Ba': 2.0, 'Pb': 2.0, 'O': 6.0}",165.45383803885784,[],NM,False,74,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.841787494431788e-07,5.66e-05,0,0.0001132,MP,data/source/MP/cleaned/cifs/MP-mp-22230.cif,True,,data/final/MP/graphs/Ba1Bi0.17Pb0.83O3-MP-mp-22230-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,0.5,False
Ce0.05La0.95P12Ru4,2,0.0058823529411764,1.0,True,Ce0.05La0.95P12Ru4,La1P12Ru4,6.8,Other,True,Ce0.294La5.588P70.588Ru23.529,Ce-La-P-Ru,4,Supercon,La0.95Ce0.05Ru4P12,MP-mp-15727,La1P12Ru4,La-P-Ru,La5.882P70.588Ru23.529,I m -3,cubic,7.024796241557287,7.02479624,7.02479624,data/final/MP/cifs/Ce0.05La0.95P12Ru4-MP-mp-15727-synth_doped.cif,data/source/MP/raw/cifs/mp-15727.cif,mp-15727,0.0,,2011-06-04 01:34:53,5.692846467357808,10.17188/1191342,"@misc{osti_1191342,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La(P3Ru)4 (SG:204) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191342"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1674189'}},0.0,8.3313753,520.0,-118.66109886,-6.980064638823529,{'tags': ['Lanthanum ruthenium phosphide (1/4/12)']},-118.66109886,-6.980064638823529,-0.6863472385294116,"['xas', 'bandstructure']",True,"[50596, 641633]",True,2021-05-12 10:56:53.126000,NM,17,7,mp-15727,,La(P3Ru)4,"{'functional': 'PBE', 'labels': ['La', 'P', 'Ru_pv'], 'pot_type': 'paw'}","{'La': 1.0, 'P': 12.0, 'Ru': 4.0}",GGA,mp-15727,"['mp-994000', 'mp-992442', 'mp-15727', 'mp-1419602', 'mp-1674189', 'mp-995090', 'mp-1600306']",0.0007731,"{'La': 1.0, 'P': 12.0, 'Ru': 4.0}",266.8574331210477,[],NM,False,204,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.8970525233573632e-06,0.0007731,0,0.0007731,MP,data/source/MP/cleaned/cifs/MP-mp-15727.cif,True,,data/final/MP/graphs/Ce0.05La0.95P12Ru4-MP-mp-15727-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,0,0,1,0,1.0,False
Si0.6Sn0.4V3,2,0.0499999999999999,2.0,False,Si1.2Sn0.8V6,Si1Sn1V6,9.7,Other,True,Si15Sn10V75,Si-Sn-V,3,Supercon,V3Si0.6Sn0.4,MP-mp-1216430,V6Si1Sn1,Si-Sn-V,Si12.5Sn12.5V75,P m -3,cubic,4.842716,4.842716,4.842716,data/final/MP/cifs/Si0.6Sn0.4V3-MP-mp-1216430-synth_doped.cif,data/source/MP/raw/cifs/mp-1216430.cif,mp-1216430,0.0,,2019-01-12 17:56:27.234000,6.615267473631851,,,{'GGA': {'task_id': 'mp-1722481'}},0.0153764262500004,7.48846227,520.0,-65.85657211,-8.23207151375,{'tags': []},-65.85657211,-8.23207151375,-0.2397812268750003,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,FM,8,5,mp-1216430,,V6SiSn,"{'functional': 'PBE', 'labels': ['V_pv', 'Si', 'Sn_d'], 'pot_type': 'paw'}","{'V': 6.0, 'Si': 1.0, 'Sn': 1.0}",GGA,mp-1216430,"['mp-1216430', 'mp-1391833', 'mp-1722481', 'mp-1803234', 'mp-1619828']",1.1389918,"{'V': 6.0, 'Si': 1.0, 'Sn': 1.0}",113.57088291788013,[],FM,True,47,1,"[0.1, 0.2, 0.2, 0.1, 0.2, 0.2, 0.0, 0.0]",0.0100289068002013,1.1389918,6,1.1389918,MP,data/source/MP/cleaned/cifs/MP-mp-1216430.cif,True,,data/final/MP/graphs/Si0.6Sn0.4V3-MP-mp-1216430-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,1,0,0,0,1.0,False
Cu0.95Se2Zn0.05,2,0.0333333333333333,2.0,False,Cu1.9Se4Zn0.1,Cu2Se4,2.45,Other,True,Cu31.667Se66.667Zn1.667,Cu-Se-Zn,3,Supercon,Cu0.95Se2Zn0.05,MP-mp-2000,Cu2Se4,Cu-Se,Cu33.333Se66.667,P n n m,orthorhombic,3.810957,5.042092,6.218563,data/final/MP/cifs/Cu0.95Se2Zn0.05-MP-mp-2000-synth_doped.cif,data/source/MP/raw/cifs/mp-2000.cif,mp-2000,0.0,,2011-05-13 07:33:00,6.155329443959485,10.17188/1195176,"@misc{osti_1195176,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CuSe2 (SG:58) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195176"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677388'}},0.0,4.65801852,520.0,-22.68152542,-3.7802542366666665,"{'tags': ['Copper selenide (1/2)', 'Copper perselenide']}",-22.68152542,-3.7802542366666665,-0.3979110282291659,"['xas', 'elasticity', 'bandstructure']",True,"[25717, 629028, 629033, 242, 42118]",True,2021-05-12 10:56:14.760000,NM,6,8,mp-2000,,CuSe2,"{'functional': 'PBE', 'labels': ['Cu_pv', 'Se'], 'pot_type': 'paw'}","{'Cu': 1.0, 'Se': 2.0}",GGA,mp-2000,"['mp-927045', 'mp-926524', 'mp-917599', 'mp-2000', 'mp-1437988', 'mp-1677388', 'mp-1786066', 'mp-1594435']",0.0005509,"{'Cu': 2.0, 'Se': 4.0}",119.49090565234614,[],NM,False,58,0,"[0, 0, 0, 0, 0, 0]",9.22078541446193e-06,0.0005509,0,0.0011018,MP,data/source/MP/cleaned/cifs/MP-mp-2000.cif,True,,data/final/MP/graphs/Cu0.95Se2Zn0.05-MP-mp-2000-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Co0.012Fe1.988K0.8Se2,3,0.0666666666666666,1.0,True,Co0.012Fe1.988K0.8Se2,Fe2K1Se2,11.0,Ferrite,True,Co0.25Fe41.417K16.667Se41.667,Co-Fe-K-Se,4,Supercon,K0.8Fe1.988Co0.012Se2,MP-mp-1070735,K1Fe2Se2,Fe-K-Se,Fe40K20Se40,I 4/m m m,tetragonal,3.783558000712664,3.783558000712664,7.91886339,data/final/MP/cifs/Co0.012Fe1.988K0.8Se2-MP-mp-1070735-synth_doped.cif,data/source/MP/raw/cifs/mp-1070735.cif,mp-1070735,0.0,,2018-03-22 03:52:22,4.804538531009527,,,{'GGA': {'task_id': 'mp-1761650'}},0.0327827750000011,3.42423866,520.0,-27.50456218,-5.500912436,{'tags': ['Potassium iron selenide (1/2/2)']},-27.50456218,-5.500912436,-0.6812646755374999,['bandstructure'],True,[186573],True,2021-05-12 10:58:14.654000,FM,5,8,mp-1070735,,K(FeSe)2,"{'functional': 'PBE', 'labels': ['K_sv', 'Fe_pv', 'Se'], 'pot_type': 'paw'}","{'K': 1.0, 'Fe': 2.0, 'Se': 2.0}",GGA,mp-1070735,"['mp-1070735', 'mp-1070765', 'mp-1070841', 'mp-1416829', 'mp-1761650', 'mp-1797161', 'mp-1585994', 'mp-1070830']",6.0503851,"{'K': 1.0, 'Fe': 2.0, 'Se': 2.0}",106.69540665041993,[],FM,True,139,1,"[0.0, 2.8, 2.8, 0.0, 0.0]",0.0567070813069176,6.0503851,2,6.0503851,MP,data/source/MP/cleaned/cifs/MP-mp-1070735.cif,True,,data/final/MP/graphs/Co0.012Fe1.988K0.8Se2-MP-mp-1070735-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu1La2O4.13,2,0.0156281306351432,0.9686743341404358,True,Cu0.969La1.937O4,Cu1La2O4,31.0,Cuprate,True,Cu14.025La28.05O57.9242636746143,Cu-La-O,3,Supercon,La2Cu1O4.13,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La2O4.13-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La2O4.13-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ag0.667Al0.333,2,0.0006666666666667,6.0,False,Ag4.002Al1.998,Ag4Al2,0.126,Other,True,Ag66.7Al33.3,Ag-Al,2,Supercon,Ag0.667Al0.333,MP-mp-985805,Al2Ag4,Ag-Al,Ag66.667Al33.333,C m c m,orthorhombic,4.569113,5.097394001168852,5.10979643,data/final/MP/cifs/Ag0.667Al0.333-MP-mp-985805-synth_doped.cif,data/source/MP/raw/cifs/mp-985805.cif,mp-985805,0.0,,2017-11-17 15:09:37,7.814765925012479,10.17188/1316751,"@misc{osti_1316751,
    author = ""Persson, Kristin"",
    title = ""Materials Data on AlAg2 (SG:63) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1316751"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1760271'}},0.0,5.04571075,520.0,-19.27423641,-3.212372735,{'tags': []},-19.27423641,-3.212372735,-0.0754767894444441,"['xas', 'elasticity', 'bandstructure']",True,[],True,2021-05-12 10:56:37.246000,NM,6,9,mp-985805,,AlAg2,"{'functional': 'PBE', 'labels': ['Al', 'Ag'], 'pot_type': 'paw'}","{'Al': 1.0, 'Ag': 2.0}",GGA,mp-985805,"['mp-1040769', 'mp-1040772', 'mp-985805', 'mp-1256890', 'mp-1398492', 'mp-1760271', 'mp-1928111', 'mp-1627544', 'mp-1040771']",1.33e-05,"{'Al': 2.0, 'Ag': 4.0}",103.14899334858234,[],NM,False,63,0,"[0, 0, 0, 0, 0, 0]",2.578793950039609e-07,1.33e-05,0,2.66e-05,MP,data/source/MP/cleaned/cifs/MP-mp-985805.cif,True,,data/final/MP/graphs/Ag0.667Al0.333-MP-mp-985805-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
In0.099Sn0.901Te1,3,0.0989999999999999,1.0,True,In0.099Sn0.901Te1,Sn1Te1,1.746,Other,True,In4.95Sn45.05Te50,In-Sn-Te,3,Supercon,Sn0.901In0.099Te1,MP-mp-1883,Sn1Te1,Sn-Te,Sn50Te50,F m -3 m,cubic,4.53766968,4.53766968,4.53766968,data/final/MP/cifs/In0.099Sn0.901Te1-MP-mp-1883-synth_doped.cif,data/source/MP/raw/cifs/mp-1883.cif,mp-1883,0.6623999999999999,,2011-05-12 18:43:07,6.19081042904143,10.17188/1193534,"@misc{osti_1193534,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SnTe (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1193534"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686906'}},0.0,6.06645058,520.0,-7.72519638,-3.86259819,"{'tags': ['Tin telluride (1/1)', 'Tin telluride']}",-7.72519638,-3.86259819,-0.4971617975000004,"['eos', 'elasticity', 'bandstructure', 'xas']",True,"[52489, 652760, 652744, 652756, 652761, 600865, 652763, 652745, 652742, 604177, 600813, 652741, 601065, 652750, 652755, 652753, 652751, 652749, 652752, 600136, 652754, 652746, 652759]",True,2021-05-12 10:56:14.760000,NM,2,9,mp-1883,,SnTe,"{'functional': 'PBE', 'labels': ['Sn_d', 'Te'], 'pot_type': 'paw'}","{'Sn': 1.0, 'Te': 1.0}",GGA,mp-1883,"['mp-663289', 'mp-655511', 'mp-657302', 'mp-1883', 'mp-1440781', 'mp-1686906', 'mp-1784332', 'mp-1596407', 'mp-1596974']",0.0,"{'Sn': 1.0, 'Te': 1.0}",66.06685541129963,[],NM,False,225,0,"[0, 0]",0.0,0.0,0,0.0,MP,data/source/MP/cleaned/cifs/MP-mp-1883.cif,True,,data/final/MP/graphs/In0.099Sn0.901Te1-MP-mp-1883-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Cu2La1Si2,1,0.0,1.0,True,Cu2La1Si2,Cu2La1Si2,0.0,Other,True,Cu40La20Si40,Cu-La-Si,3,Supercon,La1Cu2Si2,MP-mp-3995,La1Cu2Si2,Cu-La-Si,Cu40La20Si40,I 4/m m m,tetragonal,4.145680002092355,4.145680002092355,5.77325523,data/final/MP/cifs/Cu2La1Si2-MP-mp-3995.cif,data/source/MP/raw/cifs/mp-3995.cif,mp-3995,0.0,,2011-05-13 05:06:56,6.258435713913083,10.17188/1207712,"@misc{osti_1207712,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La(SiCu)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207712"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671886'}},0.0,8.46204759,520.0,-26.94627872,-5.389255744,"{'tags': ['Copper lanthanum silicide (2/1/2)', 'Lanthanum copper silicide (1/2/2)']}",-26.94627872,-5.389255744,-0.5638460469999999,"['xas', 'bandstructure']",True,"[628269, 628258, 628267, 164067, 106841, 628270]",True,2021-05-12 10:57:08.928000,NM,5,10,mp-3995,,La(CuSi)2,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'Si'], 'pot_type': 'paw'}","{'La': 1.0, 'Cu': 2.0, 'Si': 2.0}",GGA,mp-3995,"['mp-1006962', 'mp-1000488', 'mp-3995', 'mp-1097739', 'mp-1124872', 'mp-1439244', 'mp-1671886', 'mp-1799876', 'mp-1011689', 'mp-1593465']",0.0018478,"{'La': 1.0, 'Cu': 2.0, 'Si': 2.0}",85.48035881753243,[],NM,False,139,0,"[0, 0, 0, 0, 0]",2.16166617169254e-05,0.0018478,0,0.0018478,MP,data/source/MP/cleaned/cifs/MP-mp-3995.cif,False,,data/final/MP/graphs/Cu2La1Si2-MP-mp-3995.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2Co3Y1,1,0.0,1.0,True,B2Co3Y1,B2Co3Y1,0.0,Other,True,B33.333Co50Y16.667,B-Co-Y,3,Supercon,Y1Co3B2,MP-mp-5019,Y1Co3B2,B-Co-Y,B33.333Co50Y16.667,P 6/m m m,hexagonal,3.005888,5.021725998203978,5.02172575,data/final/MP/cifs/B2Co3Y1-MP-mp-5019.cif,data/source/MP/raw/cifs/mp-5019.cif,mp-5019,0.0,,2011-05-13 00:50:13,7.268030988765285,10.17188/1208573,"@misc{osti_1208573,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YCo3B2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208573"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-925617'}},0.0,5.73070288,520.0,-44.05656814,-7.342761356666667,"{'tags': ['Yttrium cobalt boride (1/3/2)', 'Cobalt yttrium boride (3/1/2)']}",-44.05656814,-7.342761356666667,-0.4843933500000001,"['xas', 'elasticity', 'bandstructure']",True,"[659053, 87169, 23655, 656889, 613413]",True,2021-05-12 10:56:20.740000,NM,6,8,mp-5019,,YCo3B2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Co', 'B'], 'pot_type': 'paw'}","{'Y': 1.0, 'Co': 3.0, 'B': 2.0}",GGA,mp-5019,"['mp-910135', 'mp-925617', 'mp-926054', 'mp-5019', 'mp-1077496', 'mp-1439835', 'mp-1783583', 'mp-1593976']",0.0001524,"{'Y': 1.0, 'Co': 3.0, 'B': 2.0}",65.6461745225066,[],NM,False,191,0,"[0, 0, 0, 0, 0, 0]",2.321536648685448e-06,0.0001524,0,0.0001524,MP,data/source/MP/cleaned/cifs/MP-mp-5019.cif,False,,data/final/MP/graphs/B2Co3Y1-MP-mp-5019.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As2Ba0.8Fe2Na0.2,3,0.12,2.0,False,As4Ba1.6Fe4Na0.4,As4Ba1Fe4Na1,11.8,Ferrite,True,As40Ba16Fe40Na4,As-Ba-Fe-Na,4,Supercon,Ba0.8Na0.2Fe2As2,MP-mp-1227868,Ba1Na1Fe4As4,As-Ba-Fe-Na,As40Ba10Fe40Na10,C m m m,orthorhombic,5.458732000131759,5.462821,6.96934908,data/final/MP/cifs/As2Ba0.8Fe2Na0.2-MP-mp-1227868-synth_doped.cif,data/source/MP/raw/cifs/mp-1227868.cif,mp-1227868,0.0,,2019-01-13 03:39:01.428000,5.934244973483095,,,{'GGA': {'task_id': 'mp-1731957'}},0.0195872770000011,4.30353274,520.0,-59.62394279,-5.962394279,{'tags': []},-59.62394279,-5.962394279,-0.3865939246551718,[],False,[],True,2021-05-12 11:00:59.151000,FM,10,4,mp-1227868,,BaNa(FeAs)4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Na_pv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Na': 1.0, 'Fe': 4.0, 'As': 4.0}",GGA,mp-1227868,"['mp-1227868', 'mp-1396889', 'mp-1731957', 'mp-1827521']",0.9949323,"{'Ba': 1.0, 'Na': 1.0, 'Fe': 4.0, 'As': 4.0}",191.22642477974767,[],FM,True,65,1,"[0.0, 0.0, 0.3, 0.3, 0.3, 0.3, 0.0, 0.0, 0.0, 0.0]",0.0052029017493055,0.9949323,4,0.9949323,MP,data/source/MP/cleaned/cifs/MP-mp-1227868.cif,True,,data/final/MP/graphs/As2Ba0.8Fe2Na0.2-MP-mp-1227868-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Bi2Ca1Cu2Sr2O8.27,2,0.0165029469548133,1.9346407496977025,False,Bi3.869Ca1.935Cu3.869Sr3.869O16,Bi4Ca2Cu4Sr4O16,85.5,Cuprate,True,Bi13.098Ca6.549Cu13.098Sr13.098O54.158480681073996,Bi-Ca-Cu-Sr-O,5,Supercon,Bi2Sr2Ca1Cu2O8.27,MP-mp-1218930,Sr4Ca2Cu4Bi4O16,Bi-Ca-Cu-Sr-O,Bi13.333Ca6.667Cu13.333Sr13.333O53.333333333333336,C c c 2,orthorhombic,5.417115,5.472898000129128,16.11398919,data/final/MP/cifs/Bi2Ca1Cu2Sr2O8.27-MP-mp-1218930-synth_doped.cif,data/source/MP/raw/cifs/mp-1218930.cif,mp-1218930,0.0,,2019-01-12 20:01:06.544000,6.266668983881059,,,,0.039252223722225,4.51768334,520.0,-173.15021002,-5.771673667333333,{'tags': []},-173.15021002,-5.771673667333333,-2.074956548222222,[],False,[],True,2021-05-12 11:00:42.526000,NM,30,3,mp-1218930,oxide,Sr2CaCu2(BiO4)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'O': 8.0}",GGA,mp-1218930,"['mp-1218930', 'mp-1359698', 'mp-1817714']",0.00011165,"{'Sr': 4.0, 'Ca': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'O': 16.0}",470.7976286073367,[],NM,False,37,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.743014544498498e-07,0.00011165,0,0.0002233,MP,data/source/MP/cleaned/cifs/MP-mp-1218930.cif,True,,data/final/MP/graphs/Bi2Ca1Cu2Sr2O8.27-MP-mp-1218930-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
As2Fe1.9Ru0.1Sr1,2,0.04,1.0,True,As2Fe1.9Ru0.1Sr1,As2Fe2Sr1,0.0,Ferrite,True,As40Fe38Ru2Sr20,As-Fe-Ru-Sr,4,Supercon,Sr1Fe1.9Ru0.1As2,MP-mp-4488,Sr1Fe2As2,As-Fe-Sr,As40Fe40Sr20,I 4/m m m,tetragonal,3.9729799997357778,3.9729799997357778,6.45523327,data/final/MP/cifs/As2Fe1.9Ru0.1Sr1-MP-mp-4488-synth_doped.cif,data/source/MP/raw/cifs/mp-4488.cif,mp-4488,0.0,,2011-05-13 03:37:13,6.319998834487784,10.17188/1208187,"@misc{osti_1208187,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208187"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672865'}},0.0,5.13397273,520.0,-30.61898897,-6.123797794,"{'tags': ['Strontium diiron arsenide - HT', 'Strontium diiron arsenide', 'Strontium diiron diarsenide', 'Iron strontium arsenide (2/1/2)', 'Strontium diiron arsenide - LT']}",-30.61898897,-6.123797794,-0.5342483613333335,"['xas', 'elasticity', 'bandstructure']",True,"[182330, 181993, 610527, 163209, 163208, 163869]",True,2021-05-12 10:56:20.740000,NM,5,8,mp-4488,,Sr(FeAs)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-4488,"['mp-906356', 'mp-920135', 'mp-919110', 'mp-4488', 'mp-1439153', 'mp-1672865', 'mp-1873948', 'mp-1592272']",0.0029206,"{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",91.7377588211838,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",3.183640016422098e-05,0.0029206,0,0.0029206,MP,data/source/MP/cleaned/cifs/MP-mp-4488.cif,True,,data/final/MP/graphs/As2Fe1.9Ru0.1Sr1-MP-mp-4488-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Bi1.085K0.915O3,2,0.0339999999999999,1.0,True,Bi1.085K0.915O3,Bi1K1O3,9.0,Oxide,True,Bi21.7K18.3O60,Bi-K-O,3,Supercon,K0.915Bi1.085O3,MP-mp-982040,K1Bi1O3,Bi-K-O,Bi20K20O60,P m -3 m,cubic,4.284204,4.284204,4.284204,data/final/MP/cifs/Bi1.085K0.915O3-MP-mp-982040-synth_doped.cif,data/source/MP/raw/cifs/mp-982040.cif,mp-982040,0.0,,2015-10-12 11:25:13,6.252348761231978,10.17188/1316390,"@misc{osti_1316390,
    author = ""Persson, Kristin"",
    title = ""Materials Data on KBiO3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1316390"",
    place = ""United States"",
    year = ""2016"",
    month = ""9"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1717462'}},0.0928686834999998,1.80216133,520.0,-25.20286901,-5.040573802,{'tags': []},-25.20286901,-5.040573802,-1.4839105476,"['xas', 'elasticity']",False,[],True,2021-05-12 10:56:37.246000,NM,5,9,mp-982040,oxide,KBiO3,"{'functional': 'PBE', 'labels': ['K_sv', 'Bi', 'O'], 'pot_type': 'paw'}","{'K': 1.0, 'Bi': 1.0, 'O': 3.0}",GGA,mp-982040,"['mp-982222', 'mp-1006156', 'mp-982040', 'mp-1006117', 'mp-1431172', 'mp-1717462', 'mp-1798749', 'mp-1011221', 'mp-1585048']",0.0005425,"{'K': 1.0, 'Bi': 1.0, 'O': 3.0}",78.63401066432932,[],NM,False,221,0,"[0, 0, 0, 0, 0]",6.899050365315956e-06,0.0005425,0,0.0005425,MP,data/source/MP/cleaned/cifs/MP-mp-982040.cif,True,,data/final/MP/graphs/Bi1.085K0.915O3-MP-mp-982040-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
As2Ba0.5Fe1.7K0.5Zn0.3,3,0.12,2.0,False,As4Ba1Fe3.4K1Zn0.6,As4Ba1Fe4K1,7.86,Ferrite,True,As40Ba10Fe34K10Zn6,As-Ba-Fe-K-Zn,5,Supercon,Ba0.5K0.5Fe1.7Zn0.3As2,MP-mp-1223517,K1Ba1Fe4As4,As-Ba-Fe-K,As40Ba10Fe40K10,C m m m,orthorhombic,5.479027,5.480024002658328,7.13170472,data/final/MP/cifs/As2Ba0.5Fe1.7K0.5Zn0.3-MP-mp-1223517-synth_doped.cif,data/source/MP/raw/cifs/mp-1223517.cif,mp-1223517,0.0,,2019-01-12 23:54:03.876000,5.87534599912672,,,{'GGA': {'task_id': 'mp-1743010'}},0.0132513644999994,4.21185628,520.0,-59.66633886,-5.966633886,{'tags': []},-59.66633886,-5.966633886,-0.4120461663000007,[],False,[],True,2021-05-12 11:00:52.054000,FM,10,4,mp-1223517,,KBa(FeAs)4,"{'functional': 'PBE', 'labels': ['K_sv', 'Ba_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'K': 1.0, 'Ba': 1.0, 'Fe': 4.0, 'As': 4.0}",GGA,mp-1223517,"['mp-1223517', 'mp-1396881', 'mp-1743010', 'mp-1827585']",0.9947188,"{'K': 1.0, 'Ba': 1.0, 'Fe': 4.0, 'As': 4.0}",197.6961518155852,[],FM,True,65,1,"[0.0, 0.0, 0.3, 0.3, 0.3, 0.3, 0.0, 0.0, 0.0, 0.0]",0.0050315536790412,0.9947188,4,0.9947188,MP,data/source/MP/cleaned/cifs/MP-mp-1223517.cif,True,,data/final/MP/graphs/As2Ba0.5Fe1.7K0.5Zn0.3-MP-mp-1223517-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Co0.219Ga1V2.781,3,0.1094999999999999,2.0,False,Co0.438Ga2V5.562,Ga2V6,8.4,Other,True,Co5.475Ga25V69.525,Co-Ga-V,3,Supercon,V2.781Co0.219Ga1,MP-mp-22568,V6Ga2,Ga-V,Ga25V75,P m -3 n,cubic,4.789645,4.789645,4.789645,data/final/MP/cifs/Co0.219Ga1V2.781-MP-mp-22568-synth_doped.cif,data/source/MP/raw/cifs/mp-22568.cif,mp-22568,0.0,,2014-02-22 11:36:40,6.726541666276222,10.17188/1198793,"@misc{osti_1198793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686867'}},0.0,5.67452231,520.0,-61.95244347,-7.74405543375,{'tags': ['Gallium vanadium (1/3)']},-61.95244347,-7.74405543375,-0.1741018756249994,"['xas', 'elasticity', 'bandstructure']",True,"[635643, 635628, 635619, 635634, 104021, 635646, 635604, 635610, 635617, 635624, 635626, 635605, 635631, 635625, 635636, 635603, 104020, 635616, 635607]",True,2021-05-12 10:56:16.728000,FM,8,9,mp-22568,,V3Ga,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ga': 1.0}",GGA,mp-22568,"['mp-941343', 'mp-941663', 'mp-934924', 'mp-22568', 'mp-1440749', 'mp-1686867', 'mp-1804076', 'mp-1593784', 'mp-1595713']",0.09063635,"{'V': 6.0, 'Ga': 2.0}",109.87780534443452,[],FM,True,131,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0, -0.0, -0.0]",0.0016497662965852,0.09063635,2,0.1812727,MP,data/source/MP/cleaned/cifs/MP-mp-22568.cif,True,,data/final/MP/graphs/Co0.219Ga1V2.781-MP-mp-22568-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ge0.95Te1,2,0.0256410256410256,1.0,True,Ge0.95Te1,Ge1Te1,0.246,Other,True,Ge48.718Te51.282,Ge-Te,2,Supercon,Ge0.95Te1,MP-mp-938,Ge1Te1,Ge-Te,Ge50Te50,R 3 m,trigonal,4.2306661843580935,4.2306661843580935,4.37516386,data/final/MP/cifs/Ge0.95Te1-MP-mp-938-synth_doped.cif,data/source/MP/raw/cifs/mp-938.cif,mp-938,0.8215000000000003,,2011-05-12 18:44:01,5.9096523360046005,10.17188/1272924,"@misc{osti_1272924,
    author = ""Persson, Kristin"",
    title = ""Materials Data on GeTe (SG:160) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1272924"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668824'}},0.0,5.39520466,520.0,-7.95077254,-3.97538627,"{'tags': ['Germanium telluride', 'Germanium telluride (1/1) - alpha', 'Germanium(II) telluride', 'Germanium telluride (1/1)']}",-7.95077254,-3.97538627,-0.3032218774999995,"['piezo', 'xas', 'bandstructure', 'diel', 'elasticity']",True,"[159907, 188458, 56039, 56040, 56041, 659806, 659808, 43202, 655497, 659805, 165414, 56038]",True,2021-05-12 10:56:35.166000,NM,2,20,mp-938,,GeTe,"{'functional': 'PBE', 'labels': ['Ge_d', 'Te'], 'pot_type': 'paw'}","{'Ge': 1.0, 'Te': 1.0}",GGA,mp-938,"['mp-655245', 'mp-655250', 'mp-655231', 'mp-938', 'mp-1057193', 'mp-1057199', 'mp-1057210', 'mp-1060737', 'mp-1060747', 'mp-1060770', 'mp-1141488', 'mp-1119920', 'mp-1440604', 'mp-1668824', 'mp-1790742', 'mp-1863530', 'mp-1595868', 'mp-1596468', 'mp-1057206', 'mp-1060757']",1.27e-05,"{'Ge': 1.0, 'Te': 1.0}",56.264958374993846,[],NM,False,160,0,"[0, 0]",2.257177534080312e-07,1.27e-05,0,1.27e-05,MP,data/source/MP/cleaned/cifs/MP-mp-938.cif,True,,data/final/MP/graphs/Ge0.95Te1-MP-mp-938-synth_doped.json,0,True,3m,0,0,0,0,0,0,5,1,0,0,0,1.0,False
B2Er0.4Lu0.6Ru1,2,0.0499999999999999,4.0,False,B8Er1.6Lu2.4Ru4,B8Er2Lu2Ru4,6.295,Other,True,B50Er10Lu15Ru25,B-Er-Lu-Ru,4,Supercon,Lu0.6Er0.4Ru1B2,MP-mp-1225723,Er2Lu2B8Ru4,B-Er-Lu-Ru,B50Er12.5Lu12.5Ru25,P m c 21,orthorhombic,5.281004,5.867228,6.310302,data/final/MP/cifs/B2Er0.4Lu0.6Ru1-MP-mp-1225723-synth_doped.cif,data/source/MP/raw/cifs/mp-1225723.cif,mp-1225723,0.0,,2019-01-13 01:47:37.711000,9.980876118968816,,,{'GGA': {'task_id': 'mp-1733567'}},0.0007253706249992,6.01782669,520.0,-119.13701765,-7.446063603125,{'tags': []},-119.13701765,-7.446063603125,-0.651686637708333,[],False,[],True,2021-05-12 11:00:54.298000,NM,16,4,mp-1225723,,ErLu(B2Ru)2,"{'functional': 'PBE', 'labels': ['Er_3', 'Lu_3', 'B', 'Ru_pv'], 'pot_type': 'paw'}","{'Er': 1.0, 'Lu': 1.0, 'B': 4.0, 'Ru': 2.0}",GGA,mp-1225723,"['mp-1225723', 'mp-1402241', 'mp-1733567', 'mp-1786069']",0.000337,"{'Er': 2.0, 'Lu': 2.0, 'B': 8.0, 'Ru': 4.0}",195.52378955398487,[],NM,False,26,0,"[-0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",3.447150863521424e-06,0.000337,0,0.000674,MP,data/source/MP/cleaned/cifs/MP-mp-1225723.cif,True,,data/final/MP/graphs/B2Er0.4Lu0.6Ru1-MP-mp-1225723-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,1,0,0,0,1.0,False
Rb0.27W1O3,2,0.0273824536119619,3.0,False,Rb0.81W3O9,Rb1W3O9,1.94,Oxide,True,Rb6.323W23.419O70.2576112412178,Rb-W-O,3,Supercon,O3Rb0.27W1,MP-mp-565431,Rb1W3O9,Rb-W-O,Rb7.692W23.077O69.23076923076923,P 6/m m m,hexagonal,3.882989,7.530094003231798,7.530093400000001,data/final/MP/cifs/Rb0.27W1O3-MP-mp-565431-synth_doped.cif,data/source/MP/raw/cifs/mp-565431.cif,mp-565431,0.0,,2014-02-23 19:51:49,6.801313653620402,10.17188/1272509,"@misc{osti_1272509,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Rb(WO3)3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1272509"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1672885'}},0.0038003846153671,3.17423124,520.0,-93.98226341,-7.229404877692308,{'tags': ['Rubidium tungsten oxide (0.33/1/3)']},-93.98226341,-7.229404877692308,-2.2379000678846164,"['xas', 'bandstructure']",True,[96419],True,2021-05-12 10:57:23.123000,FM,13,15,mp-565431,oxide,Rb(WO3)3,"{'functional': 'PBE', 'labels': ['Rb_sv', 'W_pv', 'O'], 'pot_type': 'paw'}","{'Rb': 1.0, 'W': 3.0, 'O': 9.0}",GGA+U,mp-565431,"['mp-704837', 'mp-932684', 'mp-940813', 'mp-940952', 'mp-565431', 'mp-1179797', 'mp-1192870', 'mp-1414087', 'mp-1427299', 'mp-1672885', 'mp-1670084', 'mp-1833003', 'mp-1609186', 'mp-1605159', 'mp-1984777']",0.8587592,"{'Rb': 1.0, 'W': 3.0, 'O': 9.0}",190.6766621234564,[],FM,True,65,1,"[0.0, 0.4, 0.4, 0.3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0045037457150575,0.8587592,3,0.8587592,MP,data/source/MP/cleaned/cifs/MP-mp-565431.cif,True,,data/final/MP/graphs/Rb0.27W1O3-MP-mp-565431-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Pd2Sn1Y0.9Yb0.1,2,0.0499999999999999,1.0,True,Pd2Sn1Y0.9Yb0.1,Pd2Sn1Y1,4.37,Other,True,Pd50Sn25Y22.5Yb2.5,Pd-Sn-Y-Yb,4,Supercon,Pd2Y0.9Yb0.1Sn1,MP-mp-5538,Y1Sn1Pd2,Pd-Sn-Y,Pd50Sn25Y25,F m -3 m,cubic,4.81595014,4.81595014,4.81595014,data/final/MP/cifs/Pd2Sn1Y0.9Yb0.1-MP-mp-5538-synth_doped.cif,data/source/MP/raw/cifs/mp-5538.cif,mp-5538,0.0,,2011-05-13 01:04:13,8.839720826473608,10.17188/1267618,"@misc{osti_1267618,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YSnPd2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1267618"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687523'}},0.0,6.33853657,520.0,-24.32859047,-6.0821476175,"{'tags': ['Palladium yttrium stannide (2/1/1)', 'Palladium tin yttrium (2/1/1)']}",-24.32859047,-6.0821476175,-0.873195970416667,"['xas', 'elasticity', 'bandstructure']",True,"[105699, 648949, 105700, 424011, 648950]",True,2021-05-12 10:56:22.739000,NM,4,12,mp-5538,,YSnPd2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Sn_d', 'Pd'], 'pot_type': 'paw'}","{'Y': 1.0, 'Sn': 1.0, 'Pd': 2.0}",GGA,mp-5538,"['mp-1008093', 'mp-1001657', 'mp-5538', 'mp-1065654', 'mp-1065644', 'mp-1065683', 'mp-1439031', 'mp-1687523', 'mp-1801498', 'mp-1012418', 'mp-1593849', 'mp-1065696']",0.0001592,"{'Y': 1.0, 'Sn': 1.0, 'Pd': 2.0}",78.98251295612837,[],NM,False,225,0,"[0, 0, 0, 0]",2.015636044505563e-06,0.0001592,0,0.0001592,MP,data/source/MP/cleaned/cifs/MP-mp-5538.cif,True,,data/final/MP/graphs/Pd2Sn1Y0.9Yb0.1-MP-mp-5538-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
B2Mg0.988Sc0.012,2,0.008,1.0,True,B2Mg0.988Sc0.012,B2Mg1,41.4,Other,True,B66.667Mg32.933Sc0.4,B-Mg-Sc,3,Supercon,B2Mg0.988Sc0.012,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B2Mg0.988Sc0.012-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B2Mg0.988Sc0.012-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Al2La0.988Tb0.012,2,0.008,2.0,False,Al4La1.976Tb0.024,Al4La2,0.94,Other,True,Al66.667La32.933Tb0.4,Al-La-Tb,3,Supercon,La0.988Tb0.012Al2,MP-mp-2694,La2Al4,Al-La,Al66.667La33.333,F d -3 m,cubic,5.75810346,5.75810346,5.75810346,data/final/MP/cifs/Al2La0.988Tb0.012-MP-mp-2694-synth_doped.cif,data/source/MP/raw/cifs/mp-2694.cif,mp-2694,0.0,,2011-05-12 21:07:48,4.744791242841679,10.17188/1201263,"@misc{osti_1201263,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaAl2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201263"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686658'}},0.0,8.10972418,520.0,-27.8605497,-4.64342495,{'tags': ['Aluminium lanthanum (2/1)']},-27.8605497,-4.64342495,-0.5010386950000001,"['xas', 'elasticity', 'bandstructure']",True,"[608275, 608277, 608265, 608290, 608288, 57933, 608270, 608269, 603920, 608272, 608286, 608273, 608289, 604450, 608266]",True,2021-05-12 10:56:18.721000,NM,6,10,mp-2694,,LaAl2,"{'functional': 'PBE', 'labels': ['La', 'Al'], 'pot_type': 'paw'}","{'La': 1.0, 'Al': 2.0}",GGA,mp-2694,"['mp-940230', 'mp-925817', 'mp-940644', 'mp-2694', 'mp-1258643', 'mp-1440554', 'mp-1686658', 'mp-1787219', 'mp-1596037', 'mp-1594760']",0.0008869,"{'La': 2.0, 'Al': 4.0}",134.99677475891534,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",1.3139573172527638e-05,0.0008869,0,0.0017738,MP,data/source/MP/cleaned/cifs/MP-mp-2694.cif,True,,data/final/MP/graphs/Al2La0.988Tb0.012-MP-mp-2694-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ba0.88K0.12Sb2Ti2O1,2,0.04,1.0,True,Ba0.88K0.12Sb2Ti2O1,Ba1Sb2Ti2O1,6.1,Oxide,True,Ba14.667K2Sb33.333Ti33.333O16.666666666666668,Ba-K-Sb-Ti-O,5,Supercon,Ba0.88K0.12Ti2Sb2O1,MP-mp-1070806,Ba1Ti2Sb2O1,Ba-Sb-Ti-O,Ba16.667Sb33.333Ti33.333O16.666666666666668,P 4/m m m,tetragonal,4.113474,4.113474,8.312382,data/final/MP/cifs/Ba0.88K0.12Sb2Ti2O1-MP-mp-1070806-synth_doped.cif,data/source/MP/raw/cifs/mp-1070806.cif,mp-1070806,0.0,,2018-03-22 04:02:04,5.8154485533321445,,,{'GGA': {'task_id': 'mp-1702174'}},0.0,5.89751533,520.0,-39.14932631,-6.524887718333333,{'tags': []},-39.14932631,-6.524887718333333,-1.5507346602777776,['bandstructure'],True,"[430061, 237789, 430060]",True,2021-05-12 10:58:14.654000,NM,6,16,mp-1070806,oxide,BaTi2Sb2O,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ti_pv', 'Sb', 'O'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Ti': 2.0, 'Sb': 2.0, 'O': 1.0}",GGA,mp-1070806,"['mp-1071055', 'mp-1071068', 'mp-1071083', 'mp-1071088', 'mp-1070806', 'mp-1071124', 'mp-1070846', 'mp-1070900', 'mp-1071137', 'mp-1423542', 'mp-1702174', 'mp-1785425', 'mp-1588663', 'mp-1070899', 'mp-1071129', 'mp-1071119']",0.001055,"{'Ba': 1.0, 'Ti': 2.0, 'Sb': 2.0, 'O': 1.0}",140.65105900950408,[],NM,False,123,0,"[0, 0, 0, 0, 0, 0]",7.500832254158225e-06,0.001055,0,0.001055,MP,data/source/MP/cleaned/cifs/MP-mp-1070806.cif,True,,data/final/MP/graphs/Ba0.88K0.12Sb2Ti2O1-MP-mp-1070806-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ce3Pd4Si4,1,0.0,1.0,True,Ce3Pd4Si4,Ce3Pd4Si4,0.0,Heavy_fermion,True,Ce27.273Pd36.364Si36.364,Ce-Pd-Si,3,Supercon,Ce3Pd4Si4,MP-mp-1103548,Ce3Si4Pd4,Ce-Pd-Si,Ce27.273Pd36.364Si36.364,I m m m,orthorhombic,4.098624000270608,4.223065999772791,12.69671955,data/final/MP/cifs/Ce3Pd4Si4-MP-mp-1103548.cif,data/source/MP/raw/cifs/mp-1103548.cif,mp-1103548,0.0,,2018-07-18 18:37:05,7.44410483184831,,,{'GGA': {'task_id': 'mp-1690578'}},0.0,5.75826545,520.0,-70.14289597,-6.3766269063636365,{'tags': ['Cerium palladium silicon (3/4/4) - tau8']},-70.14289597,-6.3766269063636365,-0.902076835,['bandstructure'],True,[174076],True,2021-05-12 10:58:20.361000,FM,11,6,mp-1103548,,Ce3(SiPd)4,"{'functional': 'PBE', 'labels': ['Ce', 'Si', 'Pd'], 'pot_type': 'paw'}","{'Ce': 3.0, 'Si': 4.0, 'Pd': 4.0}",GGA,mp-1103548,"['mp-1103548', 'mp-1367113', 'mp-1657550', 'mp-1690578', 'mp-1827834', 'mp-1608574']",0.2289625,"{'Ce': 3.0, 'Si': 4.0, 'Pd': 4.0}",213.78135601326667,[],FM,True,71,2,"[0.0, 0.1, 0.1, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.001071012478683,0.2289625,2,0.2289625,MP,data/source/MP/cleaned/cifs/MP-mp-1103548.cif,False,,data/final/MP/graphs/Ce3Pd4Si4-MP-mp-1103548.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,1.0,False
Al0.952Nb3Se0.048,2,0.024,2.0,False,Al1.904Nb6Se0.096,Al2Nb6,18.0,Other,True,Al23.8Nb75Se1.2,Al-Nb-Se,3,Supercon,Nb3Al0.952Se0.048,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al0.952Nb3Se0.048-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al0.952Nb3Se0.048-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
H0.886Pd1,3,0.0604453870625662,2.0,False,H1.772Pd2,H2Pd2,3.478,Other,True,H46.978Pd53.022,H-Pd,2,Supercon,H0.886Pd1,MP-mp-1184548,H2Pd2,H-Pd,H50Pd50,P 63 m c,hexagonal,2.968136003881316,2.96813585,5.040799,data/final/MP/cifs/H0.886Pd1-MP-mp-1184548-synth_doped.cif,data/source/MP/raw/cifs/mp-1184548.cif,mp-1184548,0.0,,2019-01-11 12:52:40.348000,9.276812227294194,,,{'GGA': {'task_id': 'mp-1734957'}},0.0,3.52113336,520.0,-17.47744839,-4.3693620975,{'tags': []},-17.47744839,-4.3693620975,-0.0830581699999992,['bandstructure'],True,[],True,2021-05-12 10:58:27.755000,NM,4,5,mp-1184548,,HPd,"{'functional': 'PBE', 'labels': ['H', 'Pd'], 'pot_type': 'paw'}","{'H': 1.0, 'Pd': 1.0}",GGA,mp-1184548,"['mp-1184548', 'mp-1426775', 'mp-1734957', 'mp-1792734', 'mp-1612181']",3.7e-05,"{'H': 2.0, 'Pd': 2.0}",38.45896345503417,[],NM,False,186,0,"[0, 0, 0, 0]",1.924128820749941e-06,3.7e-05,0,7.4e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1184548.cif,True,,data/final/MP/graphs/H0.886Pd1-MP-mp-1184548-synth_doped.json,0,True,6mm,0,5,0,0,0,0,0,1,0,0,0,1.0,False
Al0.02Si0.98V3,2,0.01,2.0,False,Al0.04Si1.96V6,Si2V6,16.12,Other,True,Al0.5Si24.5V75,Al-Si-V,3,Supercon,V3Si0.98Al0.02,MP-mp-2567,V6Si2,Si-V,Si25V75,P m -3 n,cubic,4.702381,4.702381,4.702381,data/final/MP/cifs/Al0.02Si0.98V3-MP-mp-2567-synth_doped.cif,data/source/MP/raw/cifs/mp-2567.cif,mp-2567,0.0,,2011-05-13 19:15:43,5.778142190030859,10.17188/1200874,"@misc{osti_1200874,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Si (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200874"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668672'}},0.0,7.30599425,520.0,-69.05773321,-8.63221665125,{'tags': ['Vanadium silicide (3/1)']},-69.05773321,-8.63221665125,-0.4452085937499994,"['xas', 'elasticity', 'bandstructure']",True,"[652491, 87328, 652522, 652502, 652510, 652520, 600518, 186003, 652507, 652513, 652497, 601150, 652514, 652487, 22412, 652509, 652529, 652532, 652499, 652539, 652537, 652533, 652512, 652538, 652490, 652493, 652494, 652511, 652519, 87329, 652526, 652500]",True,2021-05-12 10:56:18.721000,FM,8,13,mp-2567,,V3Si,"{'functional': 'PBE', 'labels': ['V_pv', 'Si'], 'pot_type': 'paw'}","{'V': 3.0, 'Si': 1.0}",GGA,mp-2567,"['mp-920081', 'mp-906309', 'mp-919083', 'mp-2567', 'mp-1078474', 'mp-1078852', 'mp-1138781', 'mp-1145907', 'mp-1440678', 'mp-1668672', 'mp-1795955', 'mp-1593554', 'mp-1596575']",0.8382519,"{'V': 6.0, 'Si': 2.0}",103.98086881866836,[],FM,True,131,1,"[0.2, 0.3, 0.3, 0.2, 0.3, 0.3, 0.0, 0.0]",0.0161231947669493,0.8382519,6,1.6765038,MP,data/source/MP/cleaned/cifs/MP-mp-2567.cif,True,,data/final/MP/graphs/Al0.02Si0.98V3-MP-mp-2567-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B1.868C0.132Mg1,3,0.0879999999999999,1.0,True,B1.868C0.132Mg1,B2Mg1,33.15,Other,True,B62.267C4.4Mg33.333,B-C-Mg,3,Supercon,Mg1B1.868C0.132,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B1.868C0.132Mg1-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B1.868C0.132Mg1-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Hf3Si2,1,0.0,2.0,False,Hf6Si4,Hf6Si4,0.0,Other,True,Hf60Si40,Hf-Si,2,Supercon,Hf3Si2,MP-mp-2105,Hf6Si4,Hf-Si,Hf60Si40,P 4/m b m,tetragonal,3.671195,7.030757,7.030757,data/final/MP/cifs/Hf3Si2-MP-mp-2105.cif,data/source/MP/raw/cifs/mp-2105.cif,mp-2105,0.0,,2011-05-13 19:50:52,10.827438522852944,10.17188/1196310,"@misc{osti_1196310,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Hf3Si2 (SG:127) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196310"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702163'}},0.0,6.43472727,520.0,-89.42892006,-8.942892006,"{'tags': ['Hafnium silicon (3/2)', 'Hafnium silicide (3/2)']}",-89.42892006,-8.942892006,-0.7700530879999988,"['xas', 'elasticity', 'bandstructure']",True,"[638925, 638913, 53041]",True,2021-05-12 10:56:16.728000,NM,10,10,mp-2105,,Hf3Si2,"{'functional': 'PBE', 'labels': ['Hf_pv', 'Si'], 'pot_type': 'paw'}","{'Hf': 3.0, 'Si': 2.0}",GGA,mp-2105,"['mp-926434', 'mp-910686', 'mp-2105', 'mp-1138620', 'mp-1145998', 'mp-1428926', 'mp-1702163', 'mp-1790105', 'mp-926957', 'mp-1587585']",8.515e-05,"{'Hf': 6.0, 'Si': 4.0}",181.4728371495616,[],NM,False,127,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",9.384324545477104e-07,8.515e-05,0,0.0001703,MP,data/source/MP/cleaned/cifs/MP-mp-2105.cif,False,,data/final/MP/graphs/Hf3Si2-MP-mp-2105.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As1Rh2,1,0.0,1.0,True,As1Rh2,As1Rh2,0.0,Other,True,As33.333Rh66.667,As-Rh,2,Supercon,As1Rh2,MP-mp-2302,As1Rh2,As-Rh,As33.333Rh66.667,F m -3 m,cubic,4.07042342,4.070423419999999,4.070423419999999,data/final/MP/cifs/As1Rh2-MP-mp-2302.cif,data/source/MP/raw/cifs/mp-2302.cif,mp-2302,0.0,,2011-05-12 21:19:26,9.775481970156644,10.17188/1199170,"@misc{osti_1199170,
    author = ""Persson, Kristin"",
    title = ""Materials Data on AsRh2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199170"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686531'}},0.0,6.35745476,520.0,-20.76696624,-6.92232208,{'tags': ['Rhodium arsenide (2/1)']},-20.76696624,-6.92232208,-0.4597440316666663,"['xas', 'elasticity', 'bandstructure']",True,"[43362, 44050, 611265, 43511]",True,2021-05-12 10:56:16.728000,NM,3,8,mp-2302,,AsRh2,"{'functional': 'PBE', 'labels': ['As', 'Rh_pv'], 'pot_type': 'paw'}","{'As': 1.0, 'Rh': 2.0}",GGA,mp-2302,"['mp-990941', 'mp-992935', 'mp-2302', 'mp-1440129', 'mp-1686531', 'mp-1794319', 'mp-994249', 'mp-1589754']",0.0038513,"{'As': 1.0, 'Rh': 2.0}",47.68741336655764,[],NM,False,225,0,"[0, 0, 0]",8.076135248511614e-05,0.0038513,0,0.0038513,MP,data/source/MP/cleaned/cifs/MP-mp-2302.cif,False,,data/final/MP/graphs/As1Rh2-MP-mp-2302.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Al0.09B2Mg0.91,3,0.0599999999999999,1.0,True,Al0.09B2Mg0.91,B2Mg1,34.7,Other,True,Al3B66.667Mg30.333,Al-B-Mg,3,Supercon,Mg0.91Al0.09B2,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/Al0.09B2Mg0.91-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/Al0.09B2Mg0.91-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ca0.1Cu2Gd0.9Ru1Sr2O8,2,0.0142857142857142,2.0,False,Ca0.2Cu4Gd1.8Ru2Sr4O16,Cu4Gd2Ru2Sr4O16,61.0,Cuprate,True,Ca0.714Cu14.286Gd6.429Ru7.143Sr14.286O57.142857142857146,Ca-Cu-Gd-Ru-Sr-O,6,Supercon,Ru1Sr2Gd0.9Ca0.1Cu2O8,MP-mp-1194240,Sr4Gd2Cu4Ru2O16,Cu-Gd-Ru-Sr-O,Cu14.286Gd7.143Ru7.143Sr14.286O57.142857142857146,P 4/m b m,tetragonal,5.472451,5.472451,11.740702,data/final/MP/cifs/Ca0.1Cu2Gd0.9Ru1Sr2O8-MP-mp-1194240-synth_doped.cif,data/source/MP/raw/cifs/mp-1194240.cif,mp-1194240,0.0,,2019-01-11 23:51:58.932000,6.504561898971391,,,{'GGA': {'task_id': 'mp-1765260'}},0.0213449239285443,3.93502801,520.0,-201.55352223,-7.198340079642857,"{'tags': ['Sr2Cu2GdRuO8 orth', 'Sr2Cu2GdRuO8', 'Ruthenium distrontium gadolinium dicopper octaoxide']}",-201.55352223,-7.198340079642857,-2.268654352380952,['bandstructure'],True,[245741],True,2021-05-12 10:58:35.561000,FiM,28,6,mp-1194240,oxide,Sr2GdCu2RuO8,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Gd', 'Cu_pv', 'Ru_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Gd': 1.0, 'Cu': 2.0, 'Ru': 1.0, 'O': 8.0}",GGA,mp-1194240,"['mp-1194240', 'mp-1396976', 'mp-1659973', 'mp-1765260', 'mp-1841948', 'mp-1638264']",4.23696715,"{'Sr': 4.0, 'Gd': 2.0, 'Cu': 4.0, 'Ru': 2.0, 'O': 16.0}",351.6072554818909,[],FiM,True,127,2,"[-0.0, -0.0, -0.0, -0.0, 6.9, 6.9, 0.0, 0.0, 0.0, 0.0, -1.8, -1.8, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0241005672319991,4.23696715,4,8.4739343,MP,data/source/MP/cleaned/cifs/MP-mp-1194240.cif,True,,data/final/MP/graphs/Ca0.1Cu2Gd0.9Ru1Sr2O8-MP-mp-1194240-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ca0.1Nd0.9Ni1O3,2,0.0399999999999999,4.0,False,Ca0.4Nd3.6Ni4O12,Nd4Ni4O12,0.0,Oxide,True,Ca2Nd18Ni20O60,Ca-Nd-Ni-O,4,Supercon,Nd0.9Ca0.1Ni1O3,MP-mp-22106,Nd4Ni4O12,Nd-Ni-O,Nd20Ni20O60,P n m a,orthorhombic,5.431762,5.495849,7.709429,data/final/MP/cifs/Ca0.1Nd0.9Ni1O3-MP-mp-22106-synth_doped.cif,data/source/MP/raw/cifs/mp-22106.cif,mp-22106,0.0,,2014-02-19 13:18:08,7.242194237367626,,,{'GGA+U': {'task_id': 'mp-1701351'}},0.0,3.99854667,520.0,-131.66600273,-6.5833001365,"{'tags': ['Neodymium nickel(III) oxide', 'Dineodymium niccolate', 'Neodymium niccolate', 'Neodymium nickel oxide', 'Neodymium niccolate(III)']}",-131.66600273,-6.5833001365,-2.425267555500001,"['xas', 'bandstructure']",True,"[155746, 67725, 164825, 67724, 416213, 78319, 164562, 155747, 67723, 69788, 155748, 67722, 24875, 416212]",True,2021-05-12 10:57:01.079000,FM,20,11,mp-22106,oxide,NdNiO3,"{'functional': 'PBE', 'labels': ['Nd_3', 'Ni_pv', 'O'], 'pot_type': 'paw'}","{'Nd': 1.0, 'Ni': 1.0, 'O': 3.0}",GGA+U,mp-22106,"['mp-919926', 'mp-918860', 'mp-905914', 'mp-602303', 'mp-25591', 'mp-1189695', 'mp-22106', 'mp-1416651', 'mp-1701351', 'mp-1930748', 'mp-1599871']",1.00005245,"{'Nd': 4.0, 'Ni': 4.0, 'O': 12.0}",230.14298278419733,[],FM,True,62,1,"[0.0, 0.0, 0.0, 0.0, 1.4, 1.4, 1.4, 1.4, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0173814111193255,1.00005245,4,4.0002098,MP,data/source/MP/cleaned/cifs/MP-mp-22106.cif,True,,data/final/MP/graphs/Ca0.1Nd0.9Ni1O3-MP-mp-22106-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
B2C1Lu0.8Ni2Y0.2,3,0.0666666666666666,1.0,True,B2C1Lu0.8Ni2Y0.2,B2C1Lu1Ni2,14.68,Other,True,B33.333C16.667Lu13.333Ni33.333Y3.333,B-C-Lu-Ni-Y,5,Supercon,Y0.2Lu0.8Ni2B2C1,MP-mp-6544,Lu1Ni2B2C1,B-C-Lu-Ni,B33.333C16.667Lu16.667Ni33.333,I 4/m m m,tetragonal,3.4660159989239463,3.4660159989239463,5.81490896,data/final/MP/cifs/B2C1Lu0.8Ni2Y0.2-MP-mp-6544-synth_doped.cif,data/source/MP/raw/cifs/mp-6544.cif,mp-6544,0.0,,2011-05-13 04:17:06,8.54504130524706,10.17188/1281287,"@misc{osti_1281287,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LuNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281287"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702891'}},0.0,6.71335166,520.0,-41.78223818,-6.963706363333333,{'tags': []},-41.78223818,-6.963706363333333,-0.5192416763888884,"['xas', 'bandstructure']",True,"[75609, 83230, 79564]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6544,,LuNi2B2C,"{'functional': 'PBE', 'labels': ['Lu_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6544,"['mp-1000584', 'mp-1007055', 'mp-6544', 'mp-1441469', 'mp-1702891', 'mp-1783160', 'mp-1011794', 'mp-1588498']",0.0023161,"{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",63.34823894903922,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",3.656139520884231e-05,0.0023161,0,0.0023161,MP,data/source/MP/cleaned/cifs/MP-mp-6544.cif,True,,data/final/MP/graphs/B2C1Lu0.8Ni2Y0.2-MP-mp-6544-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Pd4Te1,3,0.1,0.75,False,Pd3Te0.75,Pd3Te1,0.0,Other,True,Pd80Te20,Pd-Te,2,Supercon,Pd4Te1,MP-mp-979273,Te1Pd3,Pd-Te,Pd75Te25,I 4/m m m,tetragonal,4.218948001987481,4.218948001987481,4.88582463,data/final/MP/cifs/Pd4Te1-MP-mp-979273-synth_doped.cif,data/source/MP/raw/cifs/mp-979273.cif,mp-979273,0.0,,2015-10-09 15:20:49,10.774057001814873,10.17188/1316113,"@misc{osti_1316113,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TePd3 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1316113"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1765893'}},0.0679712564999981,6.59196211,520.0,-19.58868603,-4.8971715075,{'tags': []},-19.58868603,-4.8971715075,-0.2264349175000006,"['xas', 'elasticity', 'bandstructure']",True,[],True,2021-05-12 10:56:37.246000,NM,4,6,mp-979273,,TePd3,"{'functional': 'PBE', 'labels': ['Te', 'Pd'], 'pot_type': 'paw'}","{'Te': 1.0, 'Pd': 3.0}",GGA,mp-979273,"['mp-979273', 'mp-980026', 'mp-1435323', 'mp-1765893', 'mp-1802265', 'mp-1613508']",0.0001655,"{'Te': 1.0, 'Pd': 3.0}",68.87178034939693,[],NM,False,139,0,"[0, 0, 0, 0]",2.4030161433375696e-06,0.0001655,0,0.0001655,MP,data/source/MP/cleaned/cifs/MP-mp-979273.cif,True,,data/final/MP/graphs/Pd4Te1-MP-mp-979273-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2Co3Tb1,1,0.0,1.0,True,B2Co3Tb1,B2Co3Tb1,0.0,Other,True,B33.333Co50Tb16.667,B-Co-Tb,3,Supercon,Tb1Co3B2,MP-mp-3040,Tb1Co3B2,B-Co-Tb,B33.333Co50Tb16.667,P 6/m m m,hexagonal,3.02504,5.0092660023109445,5.00926634,data/final/MP/cifs/B2Co3Tb1-MP-mp-3040.cif,data/source/MP/raw/cifs/mp-3040.cif,mp-3040,0.0,,2011-05-12 23:41:04,9.02670352174582,10.17188/1204808,"@misc{osti_1204808,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TbCo3B2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204808"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686438'}},0.0,5.72855132,520.0,-42.22239715,-7.037066191666667,"{'tags': ['Terbium cobalt boride (1/3/2)', 'Cobalt terbium boride (3/1/2)', 'Terbium cobalt boride (1/3/2) - HT', 'Terbium cobalt boride (1/3/2) - LT']}",-42.22239715,-7.037066191666667,-0.4840490205555549,"['xas', 'elasticity', 'bandstructure']",True,"[246508, 613343, 44182, 87163, 246512, 246509, 246510, 246511]",True,2021-05-12 10:56:18.721000,NM,6,9,mp-3040,,TbCo3B2,"{'functional': 'PBE', 'labels': ['Tb_3', 'Co', 'B'], 'pot_type': 'paw'}","{'Tb': 1.0, 'Co': 3.0, 'B': 2.0}",GGA,mp-3040,"['mp-920350', 'mp-921378', 'mp-906707', 'mp-3596', 'mp-3040', 'mp-1440362', 'mp-1686438', 'mp-1783960', 'mp-1596740']",4.39e-05,"{'Tb': 1.0, 'Co': 3.0, 'B': 2.0}",65.73701512049946,[],NM,False,191,0,"[0, 0, 0, 0, 0, 0]",6.67812493760615e-07,4.39e-05,0,4.39e-05,MP,data/source/MP/cleaned/cifs/MP-mp-3040.cif,False,,data/final/MP/graphs/B2Co3Tb1-MP-mp-3040.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
N1Nb0.9V0.1,3,0.0999999999999999,1.0,True,N1Nb0.9V0.1,N1Nb1,6.6,Other,True,N50Nb45V5,N-Nb-V,3,Supercon,N1Nb0.9V0.1,MP-mp-2634,Nb1N1,N-Nb,N50Nb50,P -6 m 2,hexagonal,2.898656,2.9761920047347994,2.97619211,data/final/MP/cifs/N1Nb0.9V0.1-MP-mp-2634-synth_doped.cif,data/source/MP/raw/cifs/mp-2634.cif,mp-2634,0.0,,2011-05-12 17:49:04,7.984187332554685,10.17188/1201157,"@misc{osti_1201157,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NbN (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201157"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671304'}},0.0,7.12357548,520.0,-20.57319827,-10.286599135,"{'tags': ['Niobium nitride (1/1)', 'Niobium nitride', 'Niobium nitride (1/1) - gamma']}",-20.57319827,-10.286599135,-1.2481991524999998,"['xas', 'elasticity', 'bandstructure']",True,"[185569, 644536, 76385, 191062]",True,2021-05-12 10:56:18.721000,NM,2,17,mp-2634,,NbN,"{'functional': 'PBE', 'labels': ['Nb_pv', 'N'], 'pot_type': 'paw'}","{'Nb': 1.0, 'N': 1.0}",GGA,mp-2634,"['mp-926732', 'mp-910421', 'mp-926222', 'mp-2634', 'mp-1058402', 'mp-1058440', 'mp-1058487', 'mp-1061535', 'mp-1061589', 'mp-1061648', 'mp-1116126', 'mp-1442283', 'mp-1671304', 'mp-1924826', 'mp-1594881', 'mp-1061618', 'mp-1058457']",0.0002504,"{'Nb': 1.0, 'N': 1.0}",22.23561881453577,[],NM,False,187,0,"[0, 0]",1.1261211216496917e-05,0.0002504,0,0.0002504,MP,data/source/MP/cleaned/cifs/MP-mp-2634.cif,True,,data/final/MP/graphs/N1Nb0.9V0.1-MP-mp-2634-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
B1.904C0.096Mg1,3,0.064,1.0,True,B1.904C0.096Mg1,B2Mg1,35.5,Other,True,B63.467C3.2Mg33.333,B-C-Mg,3,Supercon,Mg1B1.904C0.096,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B1.904C0.096Mg1-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B1.904C0.096Mg1-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ba0.13W1O3,2,0.017046004842615,12.0,False,Ba1.56W12O36,Ba2W12O36,1.9,Oxide,True,Ba3.148W24.213O72.63922518159806,Ba-W-O,3,Supercon,Ba0.13O3W1,MP-mp-867545,Ba2W12O36,Ba-W-O,Ba4W24O72,C 1 2/m 1,monoclinic,7.761157999215288,8.98804026,10.933428409999998,data/final/MP/cifs/Ba0.13W1O3-MP-mp-867545-synth_doped.cif,data/source/MP/raw/cifs/mp-867545.cif,mp-867545,0.0,,2014-10-22 22:17:03,7.118583285305415,,,{'GGA+U': {'task_id': 'mp-898260'}},0.0,3.14034167,520.0,-374.54002185,-7.490800437000001,{'tags': []},-374.54002185,-7.490800437000001,-2.3013193274000003,"['xas', 'bandstructure']",True,[],True,2021-05-12 10:57:55.580000,FM,50,8,mp-867545,oxide,Ba(WO3)6,"{'functional': 'PBE', 'labels': ['Ba_sv', 'W_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 1.0, 'W': 6.0, 'O': 18.0}",GGA+U,mp-867545,"['mp-868170', 'mp-898260', 'mp-883072', 'mp-867545', 'mp-883069', 'mp-1349860', 'mp-1892225', 'mp-898939']",1.9999925,"{'Ba': 2.0, 'W': 12.0, 'O': 36.0}",713.033781038761,[],FM,True,12,3,"[0.0, 0.0, 0.4, 0.4, 0.4, 0.4, 0.4, 0.4, 0.4, 0.4, 0.4, 0.4, 0.4, 0.4, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0056098113530788,1.9999925,12,3.999985,MP,data/source/MP/cleaned/cifs/MP-mp-867545.cif,True,,data/final/MP/graphs/Ba0.13W1O3-MP-mp-867545-synth_doped.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
V2O3,1,0.0,8.0,False,V16O24,V16O24,0.0,Oxide,True,V40O60,V-O,2,Supercon,O3V2,MP-mp-21579,V16O24,V-O,V40O60,I a -3,cubic,8.29142248183808,8.29142248,8.29142248,data/final/MP/cifs/V2O3-MP-mp-21579.cif,data/source/MP/raw/cifs/mp-21579.cif,mp-21579,0.0,,2014-01-01 05:06:32,4.537545604148263,,,{'GGA+U': {'task_id': 'mp-1737632'}},0.0,4.91240476,520.0,-321.78746897,-8.04468672425,{'tags': ['Vanadium(III) oxide']},-321.78746897,-8.04468672425,-2.5345476932500004,"['xas', 'bandstructure']",True,[260212],True,2021-05-12 10:57:01.079000,FM,40,11,mp-21579,oxide,V2O3,"{'functional': 'PBE', 'labels': ['V_pv', 'O'], 'pot_type': 'paw'}","{'V': 2.0, 'O': 3.0}",GGA+U,mp-21579,"['mp-716276', 'mp-931274', 'mp-915621', 'mp-932251', 'mp-647447', 'mp-25787', 'mp-21579', 'mp-1408037', 'mp-1656431', 'mp-1737632', 'mp-1820206']",3.9996304875,"{'V': 16.0, 'O': 24.0}",438.7986099293087,[],FM,True,206,2,"[1.9, 1.9, 1.9, 1.9, 1.9, 1.9, 1.9, 1.9, 1.9, 1.9, 1.9, 1.9, 1.9, 1.9, 1.9, 1.9, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0729196564801214,3.9996304875,16,31.9970439,MP,data/source/MP/cleaned/cifs/MP-mp-21579.cif,False,,data/final/MP/graphs/V2O3-MP-mp-21579.json,0,True,m-3,2,0,0,0,0,0,0,0,0,1,0,1.0,False
Ce0.97Gd0.03Ru2,2,0.02,2.0,False,Ce1.94Gd0.06Ru4,Ce2Ru4,4.69,Heavy_fermion,True,Ce32.333Gd1Ru66.667,Ce-Gd-Ru,3,Supercon,Ce0.97Gd0.03Ru2,MP-mp-607,Ce2Ru4,Ce-Ru,Ce33.333Ru66.667,F d -3 m,cubic,5.35903077,5.35903077,5.35903077,data/final/MP/cifs/Ce0.97Gd0.03Ru2-MP-mp-607-synth_doped.cif,data/source/MP/raw/cifs/mp-607.cif,mp-607,0.0,,2011-05-13 22:34:26,10.444470046690055,10.17188/1277529,"@misc{osti_1277529,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeRu2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277529"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686879'}},0.0,8.61419203,520.0,-50.66413619,-8.444022698333333,"{'tags': ['Cerium ruthenium (1/2)', 'Cerium ruthenium hydride (1/2/4)']}",-50.66413619,-8.444022698333333,-0.2833998766666663,"['xas', 'elasticity', 'bandstructure']",True,"[621326, 656077, 621978, 621973, 621980, 621984, 102277, 621972, 621976, 621979, 604113, 621977, 621982, 621983, 102276, 656078]",True,2021-05-12 10:56:27.046000,NM,6,14,mp-607,,CeRu2,"{'functional': 'PBE', 'labels': ['Ce', 'Ru_pv'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Ru': 2.0}",GGA,mp-607,"['mp-928203', 'mp-912221', 'mp-928809', 'mp-607', 'mp-1071462', 'mp-1071593', 'mp-1071613', 'mp-1077792', 'mp-1440763', 'mp-1686879', 'mp-1803198', 'mp-1591928', 'mp-1591642', 'mp-1071635']",1.005e-05,"{'Ce': 2.0, 'Ru': 4.0}",108.82877852828122,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",1.846937939745105e-07,1.005e-05,0,2.01e-05,MP,data/source/MP/cleaned/cifs/MP-mp-607.cif,True,,data/final/MP/graphs/Ce0.97Gd0.03Ru2-MP-mp-607-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
C0.925Mg1Ni3,2,0.0243654822335025,1.0,True,C0.925Mg1Ni3,C1Mg1Ni3,7.09,Other,True,C18.782Mg20.305Ni60.914,C-Mg-Ni,3,Supercon,Mg1C0.925Ni3,MP-mp-10700,Mg1Ni3C1,C-Mg-Ni,C20Mg20Ni60,P m -3 m,cubic,3.810209,3.810209,3.810209,data/final/MP/cifs/C0.925Mg1Ni3-MP-mp-10700-synth_doped.cif,data/source/MP/raw/cifs/mp-10700.cif,mp-10700,0.0,,2011-05-28 10:04:44,6.376007671789427,10.17188/1187303,"@misc{osti_1187303,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MgNi3C (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187303"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1678621'}},0.0,6.64260176,520.0,-28.85099542,-5.770199084,{'tags': ['Magnesium nickel carbide (1/3/1)']},-28.85099542,-5.770199084,-0.1367049259999994,"['xas', 'elasticity', 'bandstructure']",True,[77152],True,2021-05-12 10:56:10.715000,NM,5,8,mp-10700,,MgNi3C,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Ni_pv', 'C'], 'pot_type': 'paw'}","{'Mg': 1.0, 'Ni': 3.0, 'C': 1.0}",GGA,mp-10700,"['mp-927245', 'mp-927653', 'mp-911184', 'mp-10700', 'mp-1438083', 'mp-1678621', 'mp-1791467', 'mp-1591421']",0.0387875,"{'Mg': 1.0, 'Ni': 3.0, 'C': 1.0}",55.31544309398296,[],NM,False,221,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",0.0007012056277683,0.0387875,0,0.0387875,MP,data/source/MP/cleaned/cifs/MP-mp-10700.cif,True,,data/final/MP/graphs/C0.925Mg1Ni3-MP-mp-10700-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Nd0.8Os4Pr0.2Sb12,3,0.0235294117647058,1.0,True,Nd0.8Os4Pr0.2Sb12,Nd1Os4Sb12,0.0,Other,True,Nd4.706Os23.529Pr1.176Sb70.588,Nd-Os-Pr-Sb,4,Supercon,Pr0.2Nd0.8Os4Sb12,MP-mp-3569,Nd1Sb12Os4,Nd-Os-Sb,Nd5.882Os23.529Sb70.588,I m -3,cubic,8.167780031810668,8.16778003,8.16778003,data/final/MP/cifs/Nd0.8Os4Pr0.2Sb12-MP-mp-3569-synth_doped.cif,data/source/MP/raw/cifs/mp-3569.cif,mp-3569,0.0,,2011-05-15 09:46:32,9.367536389864428,10.17188/1207030,"@misc{osti_1207030,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nd(Sb3Os)4 (SG:204) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207030"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1708829'}},0.013820645588237,7.21783923,520.0,-101.96267892,-5.997804642352941,"{'tags': ['Neodymium osmium tetraantimonide (1/4/3)', 'Neodymium osmium antimonide (1/4/12)']}",-101.96267892,-5.997804642352941,-0.1610032829411773,"['xas', 'bandstructure']",True,"[183088, 79929, 645672, 156470]",True,2021-05-12 10:57:06.958000,NM,17,9,mp-3569,,Nd(Sb3Os)4,"{'functional': 'PBE', 'labels': ['Nd_3', 'Sb', 'Os_pv'], 'pot_type': 'paw'}","{'Nd': 1.0, 'Sb': 12.0, 'Os': 4.0}",GGA,mp-3569,"['mp-1007579', 'mp-1001206', 'mp-3569', 'mp-1105478', 'mp-1434752', 'mp-1708829', 'mp-1815393', 'mp-1012335', 'mp-1583964']",0.0032687,"{'Nd': 1.0, 'Sb': 12.0, 'Os': 4.0}",419.4596679489652,[],NM,False,204,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",7.792644322594791e-06,0.0032687,0,0.0032687,MP,data/source/MP/cleaned/cifs/MP-mp-3569.cif,True,,data/final/MP/graphs/Nd0.8Os4Pr0.2Sb12-MP-mp-3569-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,0,0,1,0,1.0,False
Ba2Cu1Hg1O4.28,2,0.0338164251207729,0.934769859813084,True,Ba1.869Cu0.935Hg0.935O4,Ba2Cu1Hg1O4,85.0,Cuprate,True,Ba24.155Cu12.077Hg12.077O51.690821256038646,Ba-Cu-Hg-O,4,Supercon,Hg1Ba2Cu1O4.28,MP-mp-6562,Ba2Cu1Hg1O4,Ba-Cu-Hg-O,Ba25Cu12.5Hg12.5O50,P 4/m m m,tetragonal,3.933714,3.933714,9.827602,data/final/MP/cifs/Ba2Cu1Hg1O4.28-MP-mp-6562-synth_doped.cif,data/source/MP/raw/cifs/mp-6562.cif,mp-6562,0.0,,2011-05-13 18:18:06,6.582036471328142,10.17188/1281336,"@misc{osti_1281336,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2CuHgO4 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281336"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697135'}},0.0234340381250053,2.58068675,520.0,-40.91481298,-5.1143516225,"{'tags': ['Mercury dibarium copper oxide', 'High pressure experimental phase']}",-40.91481298,-5.1143516225,-1.953767533125,"['xas', 'bandstructure']",True,"[75722, 75720, 75724, 75721, 75723]",True,2021-05-12 10:57:32.679000,NM,8,8,mp-6562,oxide,Ba2CuHgO4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Cu_pv', 'Hg', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",GGA,mp-6562,"['mp-6562', 'mp-990899', 'mp-992892', 'mp-1435690', 'mp-1697135', 'mp-1878488', 'mp-994198', 'mp-1592659']",0.0003984,"{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",152.07335344042525,[],NM,False,123,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.619788352047311e-06,0.0003984,0,0.0003984,MP,data/source/MP/cleaned/cifs/MP-mp-6562.cif,True,,data/final/MP/graphs/Ba2Cu1Hg1O4.28-MP-mp-6562-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Nb3Os0.3Rh0.7,3,0.15,2.0,False,Nb6Os0.6Rh1.4,Nb6Rh2,0.85,Other,True,Nb75Os7.5Rh17.5,Nb-Os-Rh,3,Supercon,Nb3Rh0.7Os0.3,MP-mp-1545,Nb6Rh2,Nb-Rh,Nb75Rh25,P m -3 n,cubic,5.186072,5.186072,5.186072,data/final/MP/cifs/Nb3Os0.3Rh0.7-MP-mp-1545-synth_doped.cif,data/source/MP/raw/cifs/mp-1545.cif,mp-1545,0.0,,2011-05-14 11:20:25,9.086567873234834,10.17188/1191190,"@misc{osti_1191190,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Rh (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191190"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700041'}},0.0,5.48706495,520.0,-77.37430008,-9.67178751,{'tags': ['Niobium rhodium (3/1)']},-77.37430008,-9.67178751,-0.2547317625000005,"['xas', 'elasticity', 'bandstructure']",True,"[105216, 645269]",True,2021-05-12 10:56:12.755000,NM,8,8,mp-1545,,Nb3Rh,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Rh_pv'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Rh': 1.0}",GGA,mp-1545,"['mp-942004', 'mp-943019', 'mp-935201', 'mp-1545', 'mp-1433570', 'mp-1700041', 'mp-1786474', 'mp-1591392']",0.00021655,"{'Nb': 6.0, 'Rh': 2.0}",139.48118416938905,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",3.1050783127424102e-06,0.00021655,0,0.0004331,MP,data/source/MP/cleaned/cifs/MP-mp-1545.cif,True,,data/final/MP/graphs/Nb3Os0.3Rh0.7-MP-mp-1545-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
La0.06Si1V2.94,2,0.03,2.0,False,La0.12Si2V5.88,Si2V6,15.92,Other,True,La1.5Si25V73.5,La-Si-V,3,Supercon,V2.94La0.06Si1,MP-mp-2567,V6Si2,Si-V,Si25V75,P m -3 n,cubic,4.702381,4.702381,4.702381,data/final/MP/cifs/La0.06Si1V2.94-MP-mp-2567-synth_doped.cif,data/source/MP/raw/cifs/mp-2567.cif,mp-2567,0.0,,2011-05-13 19:15:43,5.778142190030859,10.17188/1200874,"@misc{osti_1200874,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Si (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200874"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668672'}},0.0,7.30599425,520.0,-69.05773321,-8.63221665125,{'tags': ['Vanadium silicide (3/1)']},-69.05773321,-8.63221665125,-0.4452085937499994,"['xas', 'elasticity', 'bandstructure']",True,"[652491, 87328, 652522, 652502, 652510, 652520, 600518, 186003, 652507, 652513, 652497, 601150, 652514, 652487, 22412, 652509, 652529, 652532, 652499, 652539, 652537, 652533, 652512, 652538, 652490, 652493, 652494, 652511, 652519, 87329, 652526, 652500]",True,2021-05-12 10:56:18.721000,FM,8,13,mp-2567,,V3Si,"{'functional': 'PBE', 'labels': ['V_pv', 'Si'], 'pot_type': 'paw'}","{'V': 3.0, 'Si': 1.0}",GGA,mp-2567,"['mp-920081', 'mp-906309', 'mp-919083', 'mp-2567', 'mp-1078474', 'mp-1078852', 'mp-1138781', 'mp-1145907', 'mp-1440678', 'mp-1668672', 'mp-1795955', 'mp-1593554', 'mp-1596575']",0.8382519,"{'V': 6.0, 'Si': 2.0}",103.98086881866836,[],FM,True,131,1,"[0.2, 0.3, 0.3, 0.2, 0.3, 0.3, 0.0, 0.0]",0.0161231947669493,0.8382519,6,1.6765038,MP,data/source/MP/cleaned/cifs/MP-mp-2567.cif,True,,data/final/MP/graphs/La0.06Si1V2.94-MP-mp-2567-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ba0.02Cu1La1.98O4,2,0.0057142857142857,1.0,True,Ba0.02Cu1La1.98O4,Cu1La2O4,0.0,Cuprate,True,Ba0.286Cu14.286La28.286O57.142857142857146,Ba-Cu-La-O,4,Supercon,La1.98Ba0.02Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ba0.02Cu1La1.98O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ba0.02Cu1La1.98O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
C2Pt0.8Rh0.2U2,3,0.0799999999999999,1.0,True,C2Pt0.8Rh0.2U2,C2Pt1U2,0.0,Heavy_fermion,True,C40Pt16Rh4U40,C-Pt-Rh-U,4,Supercon,U2Pt0.8Rh0.2C2,MP-mp-1068685,U2Pt1C2,C-Pt-U,C40Pt20U40,I 4/m m m,tetragonal,3.523293998450595,3.523293998450595,6.73411484,data/final/MP/cifs/C2Pt0.8Rh0.2U2-MP-mp-1068685-synth_doped.cif,data/source/MP/raw/cifs/mp-1068685.cif,mp-1068685,0.0,,2018-03-21 23:31:09,14.863441200395862,,,{'GGA': {'task_id': 'mp-1678129'}},0.0,10.58963566,520.0,-48.59510218,-9.719020436,"{'tags': ['U2PtC2', 'Platinum uranium carbide (1/2/2)', 'Uranium platinum carbide (2/1/2)', 'Na2HgO2']}",-48.59510218,-9.719020436,-0.2975626099999999,['bandstructure'],True,"[618656, 618660, 618659]",True,2021-05-12 10:58:14.654000,FM,5,16,mp-1068685,,U2PtC2,"{'functional': 'PBE', 'labels': ['U', 'Pt', 'C'], 'pot_type': 'paw'}","{'U': 2.0, 'Pt': 1.0, 'C': 2.0}",GGA,mp-1068685,"['mp-1068685', 'mp-1068739', 'mp-1068893', 'mp-1070007', 'mp-1070048', 'mp-1070082', 'mp-1070138', 'mp-1070185', 'mp-1070251', 'mp-1437934', 'mp-1678129', 'mp-1798891', 'mp-1591066', 'mp-1070208', 'mp-1070148', 'mp-1068837']",2.8448974,"{'U': 2.0, 'Pt': 1.0, 'C': 2.0}",77.66342053028113,[],FM,True,139,1,"[1.3, 1.3, 0.0, 0.0, 0.0]",0.0366311112821868,2.8448974,2,2.8448974,MP,data/source/MP/cleaned/cifs/MP-mp-1068685.cif,True,,data/final/MP/graphs/C2Pt0.8Rh0.2U2-MP-mp-1068685-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2C1Ni2Yb1,1,0.0,1.0,True,B2C1Ni2Yb1,B2C1Ni2Yb1,0.0,Heavy_fermion,True,B33.333C16.667Ni33.333Yb16.667,B-C-Ni-Yb,4,Supercon,Yb1Ni2B2C1,MP-mp-6286,Yb1Ni2B2C1,B-C-Ni-Yb,B33.333C16.667Ni33.333Yb16.667,I 4/m m m,tetragonal,3.585387998221895,3.5853879982218944,5.61425049,data/final/MP/cifs/B2C1Ni2Yb1-MP-mp-6286.cif,data/source/MP/raw/cifs/mp-6286.cif,mp-6286,0.0,,2011-05-13 04:03:09,8.356631556239703,10.17188/1278915,"@misc{osti_1278915,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YbNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278915"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704297'}},0.0,5.68235701,520.0,-38.34196265,-6.3903271083333335,{'tags': []},-38.34196265,-6.3903271083333335,-0.4427527947222221,"['xas', 'bandstructure']",True,"[79578, 56653]",True,2021-05-12 10:57:30.779000,NM,6,5,mp-6286,,YbNi2B2C,"{'functional': 'PBE', 'labels': ['Yb_2', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Yb': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6286,"['mp-6286', 'mp-1476001', 'mp-1704297', 'mp-1782529', 'mp-1595865']",3.29e-05,"{'Yb': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",64.39358442829344,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",5.109204634607093e-07,3.29e-05,0,3.29e-05,MP,data/source/MP/cleaned/cifs/MP-mp-6286.cif,False,,data/final/MP/graphs/B2C1Ni2Yb1-MP-mp-6286.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Nb3Os0.02Rh0.98,2,0.01,2.0,False,Nb6Os0.04Rh1.96,Nb6Rh2,2.42,Other,True,Nb75Os0.5Rh24.5,Nb-Os-Rh,3,Supercon,Nb3Rh0.98Os0.02,MP-mp-1545,Nb6Rh2,Nb-Rh,Nb75Rh25,P m -3 n,cubic,5.186072,5.186072,5.186072,data/final/MP/cifs/Nb3Os0.02Rh0.98-MP-mp-1545-synth_doped.cif,data/source/MP/raw/cifs/mp-1545.cif,mp-1545,0.0,,2011-05-14 11:20:25,9.086567873234834,10.17188/1191190,"@misc{osti_1191190,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Rh (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191190"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700041'}},0.0,5.48706495,520.0,-77.37430008,-9.67178751,{'tags': ['Niobium rhodium (3/1)']},-77.37430008,-9.67178751,-0.2547317625000005,"['xas', 'elasticity', 'bandstructure']",True,"[105216, 645269]",True,2021-05-12 10:56:12.755000,NM,8,8,mp-1545,,Nb3Rh,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Rh_pv'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Rh': 1.0}",GGA,mp-1545,"['mp-942004', 'mp-943019', 'mp-935201', 'mp-1545', 'mp-1433570', 'mp-1700041', 'mp-1786474', 'mp-1591392']",0.00021655,"{'Nb': 6.0, 'Rh': 2.0}",139.48118416938905,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",3.1050783127424102e-06,0.00021655,0,0.0004331,MP,data/source/MP/cleaned/cifs/MP-mp-1545.cif,True,,data/final/MP/graphs/Nb3Os0.02Rh0.98-MP-mp-1545-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cu1La1.895Sr0.105O4,2,0.0299999999999999,1.0,True,Cu1La1.895Sr0.105O4,Cu1La2O4,26.3,Cuprate,True,Cu14.286La27.071Sr1.5O57.142857142857146,Cu-La-Sr-O,4,Supercon,La1.895Sr0.105Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La1.895Sr0.105O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La1.895Sr0.105O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
C1Mo0.85Nb0.15,3,0.15,1.0,True,C1Mo0.85Nb0.15,C1Mo1,11.673,Other,True,C50Mo42.5Nb7.5,C-Mo-Nb,3,Supercon,Nb0.15Mo0.85C1,MP-mp-2305,Mo1C1,C-Mo,C50Mo50,P -6 m 2,hexagonal,2.835086,2.92410600478411,2.92410507,data/final/MP/cifs/C1Mo0.85Nb0.15-MP-mp-2305-synth_doped.cif,data/source/MP/raw/cifs/mp-2305.cif,mp-2305,0.0,,2011-05-12 17:49:42,8.538697979393088,10.17188/1199194,"@misc{osti_1199194,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MoC (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199194"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668222'}},0.0010243049999996,8.62658168,520.0,-20.24014809,-10.120074045,{'tags': ['Molybdenum carbide (1/1)']},-20.24014809,-10.120074045,-0.0838621800000005,"['xas', 'elasticity', 'bandstructure']",True,"[77156, 618300]",True,2021-05-12 10:56:16.728000,NM,2,9,mp-2305,,MoC,"{'functional': 'PBE', 'labels': ['Mo_pv', 'C'], 'pot_type': 'paw'}","{'Mo': 1.0, 'C': 1.0}",GGA,mp-2305,"['mp-927633', 'mp-927239', 'mp-911174', 'mp-2305', 'mp-1116092', 'mp-1440368', 'mp-1668222', 'mp-1791400', 'mp-1638434']",0.0001977,"{'Mo': 1.0, 'C': 1.0}",20.99340614335182,[],NM,False,187,0,"[0, 0]",9.417242664197564e-06,0.0001977,0,0.0001977,MP,data/source/MP/cleaned/cifs/MP-mp-2305.cif,True,,data/final/MP/graphs/C1Mo0.85Nb0.15-MP-mp-2305-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Rh0.94Se2,2,0.0272108843537415,4.0,False,Rh3.76Se8,Rh4Se8,5.19,Other,True,Rh31.973Se68.027,Rh-Se,2,Supercon,Rh0.94Se2,MP-mp-983,Rh4Se8,Rh-Se,Rh33.333Se66.667,P a -3,cubic,6.099805,6.099805,6.099805,data/final/MP/cifs/Rh0.94Se2-MP-mp-983-synth_doped.cif,data/source/MP/raw/cifs/mp-983.cif,mp-983,0.0,,2011-05-14 19:13:30,7.6332815701689585,10.17188/1316470,"@misc{osti_1316470,
    author = ""Persson, Kristin"",
    title = ""Materials Data on RhSe2 (SG:205) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1316470"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700335'}},0.033700524583339,6.11932593,520.0,-62.153365,-5.179447083333334,"{'tags': ['Rhenium selenide (1/2)', 'Rhodium selenide (1/2)', 'Rhodium perselenide (1/1)']}",-62.153365,-5.179447083333334,-0.7087368082291666,['bandstructure'],True,"[650276, 44868, 650283]",True,2021-05-12 10:59:09.988000,NM,12,8,mp-983,,RhSe2,"{'functional': 'PBE', 'labels': ['Rh_pv', 'Se'], 'pot_type': 'paw'}","{'Rh': 1.0, 'Se': 2.0}",GGA,mp-983,"['mp-942577', 'mp-921168', 'mp-983', 'mp-942969', 'mp-1417796', 'mp-1700335', 'mp-1871355', 'mp-1600224']",8.3475e-05,"{'Rh': 4.0, 'Se': 8.0}",226.95923284585007,[],NM,False,205,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.4711893224752998e-06,8.3475e-05,0,0.0003339,MP,data/source/MP/cleaned/cifs/MP-mp-983.cif,True,,data/final/MP/graphs/Rh0.94Se2-MP-mp-983-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,1,0,0,0,1.0,False
B2Mg0.5,1,0.0,8.0,False,B16Mg4,B16Mg4,36.0,Other,True,B80Mg20,B-Mg,2,Supercon,B2Mg0.5,MP-mp-365,Mg4B16,B-Mg,B80Mg20,P n m a,orthorhombic,4.39731,5.487922,7.423806,data/final/MP/cifs/B2Mg0.5-MP-mp-365.cif,data/source/MP/raw/cifs/mp-365.cif,mp-365,0.3650000000000002,,2011-05-13 22:37:37,2.50441551166528,10.17188/1207184,"@misc{osti_1207184,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MgB4 (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207184"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1705560'}},0.0,6.79040123,520.0,-116.0480518,-5.80240259,{'tags': ['Magnesium boride (1/4)']},-116.0480518,-5.80240259,-0.1388331633333329,"['diel', 'xas', 'elasticity', 'bandstructure']",True,[23460],True,2021-05-12 10:56:20.740000,NM,20,8,mp-365,,MgB4,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 4.0}",GGA,mp-365,"['mp-691340', 'mp-709232', 'mp-667760', 'mp-365', 'mp-1141058', 'mp-1429971', 'mp-1705560', 'mp-1828309']",1.3725e-05,"{'Mg': 4.0, 'B': 16.0}",179.15198638133143,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.0644371356923373e-07,1.3725e-05,0,5.49e-05,MP,data/source/MP/cleaned/cifs/MP-mp-365.cif,False,,data/final/MP/graphs/B2Mg0.5-MP-mp-365.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
C1Mo0.4W0.6,3,0.0999999999999999,2.0,False,C2Mo0.8W1.2,C2Mo1W1,11.3,Other,True,C50Mo20W30,C-Mo-W,3,Supercon,Mo0.4W0.6C1,MP-mp-1221393,Mo1W1C2,C-Mo-W,C50Mo25W25,P m m 2,orthorhombic,2.842292,2.930337,5.061663,data/final/MP/cifs/C1Mo0.4W0.6-MP-mp-1221393-synth_doped.cif,data/source/MP/raw/cifs/mp-1221393.cif,mp-1221393,0.0,,2019-01-12 22:05:35.996000,11.966286040988832,,,{'GGA': {'task_id': 'mp-1734927'}},0.0005651775000004,8.22527661,520.0,-42.67012626,-10.667531565,{'tags': []},-42.67012626,-10.667531565,-0.103198840000001,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,4,5,mp-1221393,,MoWC2,"{'functional': 'PBE', 'labels': ['Mo_pv', 'W_pv', 'C'], 'pot_type': 'paw'}","{'Mo': 1.0, 'W': 1.0, 'C': 2.0}",GGA,mp-1221393,"['mp-1221393', 'mp-1399123', 'mp-1734927', 'mp-1794322', 'mp-1609499']",0.00213,"{'Mo': 1.0, 'W': 1.0, 'C': 2.0}",42.15795038324907,[],NM,False,25,0,"[0, 0, 0, 0]",5.0524277879655375e-05,0.00213,0,0.00213,MP,data/source/MP/cleaned/cifs/MP-mp-1221393.cif,True,,data/final/MP/graphs/C1Mo0.4W0.6-MP-mp-1221393-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,1,0,0,0,1.0,False
As2Cr2Fe2Sr4O6,1,0.0,1.0,True,As2Cr2Fe2Sr4O6,As2Cr2Fe2Sr4O6,0.0,Ferrite,True,As12.5Cr12.5Fe12.5Sr25O37.5,As-Cr-Fe-Sr-O,5,Supercon,Fe2As2Sr4Cr2O6,MP-mp-1189319,Sr4Cr2Fe2As2O6,As-Cr-Fe-Sr-O,As12.5Cr12.5Fe12.5Sr25O37.5,P 4/n m m,tetragonal,4.011576,4.011576,16.286073,data/final/MP/cifs/As2Cr2Fe2Sr4O6-MP-mp-1189319.cif,data/source/MP/raw/cifs/mp-1189319.cif,mp-1189319,0.0,,2019-01-11 20:06:17.225000,5.144695361478592,,,,0.1376312135416668,3.85510842,520.0,-100.95420577,-6.309637860625,{'tags': ['Diiron diarsenide tetrastrontium dichromium hexaoxide']},-100.95420577,-6.309637860625,-1.9735073297916663,[],False,"[420653, 180529]",True,2021-05-12 10:59:54.607000,FM,16,3,mp-1189319,oxide,Sr2CrFeAsO3,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cr_pv', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Cr': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 3.0}",GGA+U,mp-1189319,"['mp-1189319', 'mp-1921196', 'mp-1986700']",6.85506195,"{'Sr': 4.0, 'Cr': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 6.0}",262.0875710436622,[],FM,True,129,2,"[0.0, 0.0, 0.0, 0.0, 2.9, 2.9, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0523112326364991,6.85506195,4,13.7101239,MP,data/source/MP/cleaned/cifs/MP-mp-1189319.cif,False,,data/final/MP/graphs/As2Cr2Fe2Sr4O6-MP-mp-1189319.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ca1Ga1Ge1,1,0.0,4.0,False,Ca4Ga4Ge4,Ca4Ga4Ge4,0.0,Other,True,Ca33.333Ga33.333Ge33.333,Ca-Ga-Ge,3,Supercon,Ca1Ga1Ge1,MP-mp-541310,Ca4Ga4Ge4,Ca-Ga-Ge,Ca33.333Ga33.333Ge33.333,P 63/m m c,hexagonal,4.244280004402473,4.24428061,17.642586,data/final/MP/cifs/Ca1Ga1Ge1-MP-mp-541310.cif,data/source/MP/raw/cifs/mp-541310.cif,mp-541310,0.0,,2014-03-04 18:14:45,4.402815850035361,10.17188/1265038,"@misc{osti_1265038,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CaGaGe (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1265038"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702264'}},0.0,3.60221169,520.0,-44.91458596,-3.742882163333333,"{'tags': ['Calcium gallium germanide (1/1/1)', 'Calcium gallium germanium (1:1:1)']}",-44.91458596,-3.742882163333333,-0.5239742441666664,"['xas', 'bandstructure']",True,"[66002, 166384]",True,2021-05-12 10:57:10.838000,NM,12,7,mp-541310,,CaGaGe,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Ga_d', 'Ge_d'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Ga': 1.0, 'Ge': 1.0}",GGA,mp-541310,"['mp-922770', 'mp-908435', 'mp-923543', 'mp-541310', 'mp-1429954', 'mp-1702264', 'mp-1598113']",0.00917915,"{'Ca': 4.0, 'Ga': 4.0, 'Ge': 4.0}",275.2333217362588,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0001334017253738,0.00917915,0,0.0367166,MP,data/source/MP/cleaned/cifs/MP-mp-541310.cif,False,,data/final/MP/graphs/Ca1Ga1Ge1-MP-mp-541310.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As2Mo1,1,0.0,2.0,False,As4Mo2,As4Mo2,0.205,Other,True,As66.667Mo33.333,As-Mo,2,Supercon,As2Mo1,MP-mp-1337,Mo2As4,As-Mo,As66.667Mo33.333,C 1 2/m 1,monoclinic,3.331149998129671,4.87215288,7.039015307563509,data/final/MP/cifs/As2Mo1-MP-mp-1337.cif,data/source/MP/raw/cifs/mp-1337.cif,mp-1337,0.0,,2011-05-13 04:35:00,7.877350681896773,10.17188/1189548,"@misc{osti_1189548,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MoAs2 (SG:12) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189548"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698505'}},0.0,7.62251299,520.0,-41.84252841,-6.973754735,{'tags': []},-41.84252841,-6.973754735,-0.252461455,"['xas', 'bandstructure']",True,[],True,2021-05-12 10:56:53.126000,NM,6,14,mp-1337,,MoAs2,"{'functional': 'PBE', 'labels': ['Mo_pv', 'As'], 'pot_type': 'paw'}","{'Mo': 1.0, 'As': 2.0}",GGA,mp-1337,"['mp-924494', 'mp-909468', 'mp-925164', 'mp-1337', 'mp-1072724', 'mp-1072758', 'mp-1072811', 'mp-1077450', 'mp-1180229', 'mp-1441777', 'mp-1698505', 'mp-1933898', 'mp-1595496', 'mp-1072774']",3.195e-05,"{'Mo': 2.0, 'As': 4.0}",103.6217941780618,[],NM,False,12,0,"[0, 0, 0, 0, 0, 0]",6.166656397610275e-07,3.195e-05,0,6.39e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1337.cif,False,,data/final/MP/graphs/As2Mo1-MP-mp-1337.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
Al0.985Nb3Si0.015,2,0.0075,2.0,False,Al1.97Nb6Si0.03,Al2Nb6,18.6,Other,True,Al24.625Nb75Si0.375,Al-Nb-Si,3,Supercon,Nb3Al0.985Si0.015,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al0.985Nb3Si0.015-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al0.985Nb3Si0.015-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cu1La2O4.056,2,0.0068027210884353,0.9860644312952006,True,Cu0.986La1.972O4,Cu1La2O4,0.0,Cuprate,True,Cu14.172La28.345O57.48299319727891,Cu-La-O,3,Supercon,La2Cu1O4.056,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La2O4.056-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La2O4.056-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba2Cu3Eu0.8Pr0.2O7,3,0.0461538461538461,2.0,False,Ba4Cu6Eu1.6Pr0.4O14,Ba4Cu6Eu1Pr1O14,63.0,Cuprate,True,Ba15.385Cu23.077Eu6.154Pr1.538O53.84615384615385,Ba-Cu-Eu-Pr-O,5,Supercon,Eu0.8Pr0.2Ba2Cu3O7,MP-mp-1228601,Ba4Pr1Eu1Cu6O14,Ba-Cu-Eu-Pr-O,Ba15.385Cu23.077Eu3.846Pr3.846O53.84615384615385,C m m m,orthorhombic,3.879178,7.885327998393908,12.58992067,data/final/MP/cifs/Ba2Cu3Eu0.8Pr0.2O7-MP-mp-1228601-synth_doped.cif,data/source/MP/raw/cifs/mp-1228601.cif,mp-1228601,0.0,,2019-01-13 04:17:40.184000,6.571777011913311,,,,0.0156188576201969,3.16956422,520.0,-161.67470258,-6.218257791538462,{'tags': []},-161.67470258,-6.218257791538462,-2.1029685596153844,[],False,[],True,2021-05-12 11:00:59.151000,FM,26,3,mp-1228601,oxide,Ba4PrEu(Cu3O7)2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pr_3', 'Eu', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 4.0, 'Pr': 1.0, 'Eu': 1.0, 'Cu': 6.0, 'O': 14.0}",GGA,mp-1228601,"['mp-1228601', 'mp-1347083', 'mp-1836684']",6.3399007,"{'Ba': 4.0, 'Pr': 1.0, 'Eu': 1.0, 'Cu': 6.0, 'O': 14.0}",365.73710597766734,[],FM,True,65,1,"[0.0, 0.0, 0.0, 0.0, 0.0, 6.3, -0.0, -0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0173345843131025,6.3399007,1,6.3399007,MP,data/source/MP/cleaned/cifs/MP-mp-1228601.cif,True,,data/final/MP/graphs/Ba2Cu3Eu0.8Pr0.2O7-MP-mp-1228601-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Bi2Pd3S2,1,0.0,2.0,False,Bi4Pd6S4,Bi4Pd6S4,0.0,Other,True,Bi28.571Pd42.857S28.571,Bi-Pd-S,3,Supercon,Bi2Pd3S2,MP-mp-23012,Bi4Pd6S4,Bi-Pd-S,Bi28.571Pd42.857S28.571,I 21 3,cubic,7.322693391623327,7.32269339,7.32269339,data/final/MP/cifs/Bi2Pd3S2-MP-mp-23012.cif,data/source/MP/raw/cifs/mp-23012.cif,mp-23012,0.0,,2014-02-22 12:08:16,8.804629964463052,10.17188/1199164,"@misc{osti_1199164,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Bi2Pd3S2 (SG:199) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199164"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1676588'}},0.0,5.61404744,520.0,-68.28844315,-4.877745939285715,{'tags': ['Bismuth palladium sulfide (2/3/2)']},-68.28844315,-4.877745939285715,-0.5082296844642856,"['xas', 'bandstructure']",True,"[159366, 417634]",True,2021-05-12 10:56:59.077000,NM,14,8,mp-23012,,Bi2Pd3S2,"{'functional': 'PBE', 'labels': ['Bi', 'Pd', 'S'], 'pot_type': 'paw'}","{'Bi': 2.0, 'Pd': 3.0, 'S': 2.0}",GGA,mp-23012,"['mp-904655', 'mp-919252', 'mp-918241', 'mp-23012', 'mp-1381411', 'mp-1676588', 'mp-1806592', 'mp-1604935']",0.000262,"{'Bi': 4.0, 'Pd': 6.0, 'S': 4.0}",302.2669470090136,[],NM,False,199,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.733566985027888e-06,0.000262,0,0.000524,MP,data/source/MP/cleaned/cifs/MP-mp-23012.cif,False,,data/final/MP/graphs/Bi2Pd3S2-MP-mp-23012.json,0,True,23,1,0,0,0,0,0,0,0,0,1,0,1.0,False
As0.3Fe1La1P0.7O1,3,0.15,2.0,False,As0.6Fe2La2P1.4O2,Fe2La2P2O2,0.0,Ferrite,True,As7.5Fe25La25P17.5O25,As-Fe-La-P-O,5,Supercon,La1Fe1As0.3P0.7O1,MP-mp-510668,La2Fe2P2O2,Fe-La-P-O,Fe25La25P25O25,P 4/n m m,tetragonal,4.068879,4.068879,9.084981,data/final/MP/cifs/As0.3Fe1La1P0.7O1-MP-mp-510668-synth_doped.cif,data/source/MP/raw/cifs/mp-510668.cif,mp-510668,0.0,,2014-02-26 04:17:37,5.337337070142887,,,{'GGA+U': {'task_id': 'mp-1704083'}},0.3903949226041714,6.29241646,520.0,-55.52669053,-6.94083631625,{'tags': []},-55.52669053,-6.94083631625,-1.734766549583334,"['xas', 'bandstructure']",True,"[162724, 420381, 391428]",True,2021-05-12 10:57:15.388000,FM,8,7,mp-510668,oxide,LaFePO,"{'functional': 'PBE', 'labels': ['La', 'Fe_pv', 'P', 'O'], 'pot_type': 'paw'}","{'La': 1.0, 'Fe': 1.0, 'P': 1.0, 'O': 1.0}",GGA+U,mp-510668,"['mp-542977', 'mp-510668', 'mp-1422599', 'mp-1704083', 'mp-1768909', 'mp-1779846', 'mp-1595432']",3.95130975,"{'La': 2.0, 'Fe': 2.0, 'P': 2.0, 'O': 2.0}",150.40891327693348,[],FM,True,129,1,"[0.0, 0.0, 3.7, 3.7, 0.0, 0.0, 0.0, 0.0]",0.0525408988591631,3.95130975,2,7.9026195,MP,data/source/MP/cleaned/cifs/MP-mp-510668.cif,True,,data/final/MP/graphs/As0.3Fe1La1P0.7O1-MP-mp-510668-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Mo6Nd1S8,1,0.0,1.0,True,Mo6Nd1S8,Mo6Nd1S8,3.5,Chevrel,True,Mo40Nd6.667S53.333,Mo-Nd-S,3,Supercon,Nd1Mo6S8,MP-mp-1103989,Nd1Mo6S8,Mo-Nd-S,Mo40Nd6.667S53.333,R -3,trigonal,6.555650780000001,6.55565078,6.55565072,data/final/MP/cifs/Mo6Nd1S8-MP-mp-1103989.cif,data/source/MP/raw/cifs/mp-1103989.cif,mp-1103989,0.0,,2018-07-18 20:51:08,5.757058767404855,,,{'GGA': {'task_id': 'mp-1669678'}},0.0,6.10254625,520.0,-116.60995171,-7.773996780666667,"{'tags': ['Neodymium molybdenum sulfide (1/6/8)', 'Neodymium(III) molybdenum(II/III) sulfide (1/6/8)']}",-116.60995171,-7.773996780666667,-1.180023425666666,['bandstructure'],True,"[644010, 603458]",True,2021-05-12 10:58:20.361000,NM,15,6,mp-1103989,,Nd(Mo3S4)2,"{'functional': 'PBE', 'labels': ['Nd_3', 'Mo_pv', 'S'], 'pot_type': 'paw'}","{'Nd': 1.0, 'Mo': 6.0, 'S': 8.0}",GGA,mp-1103989,"['mp-1103989', 'mp-1104564', 'mp-1424380', 'mp-1669678', 'mp-1928916', 'mp-1604803']",0.0038401,"{'Nd': 1.0, 'Mo': 6.0, 'S': 8.0}",281.62881971712795,[],NM,False,148,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.3635323273580637e-05,0.0038401,0,0.0038401,MP,data/source/MP/cleaned/cifs/MP-mp-1103989.cif,False,,data/final/MP/graphs/Mo6Nd1S8-MP-mp-1103989.json,0,True,-3,0,0,0,0,0,0,2,1,0,0,0,1.0,False
Hf5Re24,1,0.0,1.0,True,Hf5Re24,Hf5Re24,4.3,Other,True,Hf17.241Re82.759,Hf-Re,2,Supercon,Hf5Re24,MP-mp-567490,Hf5Re24,Hf-Re,Hf17.241Re82.759,I -4 3 m,cubic,8.47380396187851,8.47380396,8.47380396,data/final/MP/cifs/Hf5Re24-MP-mp-567490.cif,data/source/MP/raw/cifs/mp-567490.cif,mp-567490,0.0,,2014-03-04 05:27:35,19.007080682059826,10.17188/1273897,"@misc{osti_1273897,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Hf5Re24 (SG:217) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1273897"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1732097'}},0.0,6.9992023,520.0,-356.02834639,-12.276839530689656,"{'tags': ['Hafnium rhenium (5/24)', 'Hafnium rhenium (0.17/0.83)']}",-356.02834639,-12.276839530689656,-0.2611637827586209,"['xas', 'bandstructure']",True,"[109266, 638804]",True,2021-05-12 10:57:23.123000,NM,29,9,mp-567490,,Hf5Re24,"{'functional': 'PBE', 'labels': ['Hf_pv', 'Re_pv'], 'pot_type': 'paw'}","{'Hf': 5.0, 'Re': 24.0}",GGA,mp-567490,"['mp-929692', 'mp-913147', 'mp-930215', 'mp-567490', 'mp-1193231', 'mp-1391686', 'mp-1732097', 'mp-1816117', 'mp-1628398']",0.0027555,"{'Hf': 5.0, 'Re': 24.0}",468.39618299592667,[],NM,False,217,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.882840424478785e-06,0.0027555,0,0.0027555,MP,data/source/MP/cleaned/cifs/MP-mp-567490.cif,False,,data/final/MP/graphs/Hf5Re24-MP-mp-567490.json,0,True,-43m,5,0,0,0,0,0,0,0,0,1,0,1.0,False
Ce1Pt1Si1,1,0.0,2.0,False,Ce2Pt2Si2,Ce2Pt2Si2,0.0,Heavy_fermion,True,Ce33.333Pt33.333Si33.333,Ce-Pt-Si,3,Supercon,Ce1Pt1Si1,MP-mp-1072580,Ce2Si2Pt2,Ce-Pt-Si,Ce33.333Pt33.333Si33.333,I 41 m d,tetragonal,4.154502001736837,4.154502001736837,7.88371428,data/final/MP/cifs/Ce1Pt1Si1-MP-mp-1072580.cif,data/source/MP/raw/cifs/mp-1072580.cif,mp-1072580,0.0,,2018-03-22 09:55:49,9.55474186773693,,,{'GGA': {'task_id': 'mp-1704102'}},0.0,7.71159227,520.0,-41.502171,-6.9170285,"{'tags': ['Cerium platinum silicide (1/1/1)', 'CePtSi', 'LaPtSi']}",-41.502171,-6.9170285,-1.1072582049999995,['bandstructure'],True,"[621906, 621897]",True,2021-05-12 10:58:14.654000,FM,6,9,mp-1072580,,CeSiPt,"{'functional': 'PBE', 'labels': ['Ce', 'Si', 'Pt'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Si': 1.0, 'Pt': 1.0}",GGA,mp-1072580,"['mp-1072580', 'mp-1072703', 'mp-1072639', 'mp-1077313', 'mp-1425232', 'mp-1704102', 'mp-1785678', 'mp-1590477', 'mp-1072700']",0.44478015,"{'Ce': 2.0, 'Si': 2.0, 'Pt': 2.0}",126.27233125287891,[],FM,True,109,1,"[0.4, 0.4, -0.0, -0.0, -0.0, -0.0]",0.0070447760896924,0.44478015,2,0.8895603,MP,data/source/MP/cleaned/cifs/MP-mp-1072580.cif,False,,data/final/MP/graphs/Ce1Pt1Si1-MP-mp-1072580.json,0,True,4mm,0,0,0,0,5,0,0,0,0,1,0,1.0,False
Co0.98Ni0.02U1,2,0.02,4.0,False,Co3.92Ni0.08U4,Co4U4,0.0,Heavy_fermion,True,Co49Ni1U50,Co-Ni-U,3,Supercon,Co0.98Ni0.02U1,MP-mp-1080107,U4Co4,Co-U,Co50U50,I 21 3,cubic,5.46651343121184,5.466513429999999,5.466513429999999,data/final/MP/cifs/Co0.98Ni0.02U1-MP-mp-1080107-synth_doped.cif,data/source/MP/raw/cifs/mp-1080107.cif,mp-1080107,0.0,,2018-04-17 12:54:58,15.685586226920387,,,{'GGA': {'task_id': 'mp-1702457'}},0.0,11.55343047,520.0,-75.74461929,-9.46807741125,"{'tags': ['Uranium cobalt (1/1)', 'Cobalt uranium (1/1)', 'UCo', 'b.c.c. atom arrangement']}",-75.74461929,-9.46807741125,-0.2682135087500015,['bandstructure'],True,"[625521, 102712]",True,2021-05-12 10:58:16.596000,NM,8,6,mp-1080107,,UCo,"{'functional': 'PBE', 'labels': ['U', 'Co'], 'pot_type': 'paw'}","{'U': 1.0, 'Co': 1.0}",GGA,mp-1080107,"['mp-1080107', 'mp-1084836', 'mp-1432219', 'mp-1702457', 'mp-1785261', 'mp-1596640']",4.08e-05,"{'U': 4.0, 'Co': 4.0}",125.75039772653412,[],NM,False,199,0,"[0, 0, 0, 0, 0, 0, 0, 0]",1.297809016516246e-06,4.08e-05,0,0.0001632,MP,data/source/MP/cleaned/cifs/MP-mp-1080107.cif,True,,data/final/MP/graphs/Co0.98Ni0.02U1-MP-mp-1080107-synth_doped.json,0,True,23,1,0,0,0,0,0,0,0,0,1,0,1.0,False
Ga0.245Nb0.755,2,0.01,8.0,False,Ga1.96Nb6.04,Ga2Nb6,20.2,Other,True,Ga24.5Nb75.5,Ga-Nb,2,Supercon,Ga0.245Nb0.755,MP-mp-2670,Nb6Ga2,Ga-Nb,Ga25Nb75,P m -3 n,cubic,5.189021,5.189021,5.189021,data/final/MP/cifs/Ga0.245Nb0.755-MP-mp-2670-synth_doped.cif,data/source/MP/raw/cifs/mp-2670.cif,mp-2670,0.0,,2011-05-14 07:55:50,8.28234811962253,10.17188/1201220,"@misc{osti_1201220,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201220"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686575'}},0.0550303606249986,4.96610647,520.0,-68.03986833,-8.50498354125,"{'tags': ['Gallium niobium (1/3)', 'Niobium gallide (3/1)']}",-68.03986833,-8.50498354125,-0.1719807556250003,"['xas', 'elasticity', 'bandstructure']",True,"[634772, 634745, 634746, 634774, 634731, 634748, 634762, 634767, 108484, 634734, 634761, 103831]",True,2021-05-12 10:56:18.721000,NM,8,9,mp-2670,,Nb3Ga,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Ga_d'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Ga': 1.0}",GGA,mp-2670,"['mp-928915', 'mp-912435', 'mp-929292', 'mp-2670', 'mp-1078851', 'mp-1440107', 'mp-1686575', 'mp-1781117', 'mp-1594502']",0.0001134,"{'Nb': 6.0, 'Ga': 2.0}",139.71926259628808,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",1.6232550600794926e-06,0.0001134,0,0.0002268,MP,data/source/MP/cleaned/cifs/MP-mp-2670.cif,True,,data/final/MP/graphs/Ga0.245Nb0.755-MP-mp-2670-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cu2Tm2O5,1,0.0,4.0,False,Cu8Tm8O20,Cu8Tm8O20,0.0,Cuprate,True,Cu22.222Tm22.222O55.55555555555556,Cu-Tm-O,3,Supercon,Tm2Cu2O5,MP-mp-3120,Tm8Cu8O20,Cu-Tm-O,Cu22.222Tm22.222O55.55555555555556,P n a 21,orthorhombic,3.458938,10.818128,12.434458,data/final/MP/cifs/Cu2Tm2O5-MP-mp-3120.cif,data/source/MP/raw/cifs/mp-3120.cif,mp-3120,0.0024999999999999,,2011-05-24 00:51:21,7.779468130417722,10.17188/1205501,"@misc{osti_1205501,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Tm2Cu2O5 (SG:33) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1205501"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1743970'}},0.0448284802777525,3.44650966,520.0,-249.14523716,-6.920701032222222,{'tags': ['Dithulium dicopper oxide']},-249.14523716,-6.920701032222222,-2.6479355642592584,"['xas', 'bandstructure']",True,"[69329, 79431]",True,2021-05-12 10:57:04.957000,FM,36,7,mp-3120,oxide,Tm2Cu2O5,"{'functional': 'PBE', 'labels': ['Tm_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Tm': 2.0, 'Cu': 2.0, 'O': 5.0}",GGA,mp-3120,"['mp-713496', 'mp-703127', 'mp-683260', 'mp-3120', 'mp-1444223', 'mp-1743970', 'mp-1822028']",2.001035975,"{'Tm': 8.0, 'Cu': 8.0, 'O': 20.0}",465.28789391413255,[],FM,True,33,2,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.017202562122704,2.001035975,8,8.0041439,MP,data/source/MP/cleaned/cifs/MP-mp-3120.cif,False,,data/final/MP/graphs/Cu2Tm2O5-MP-mp-3120.json,0,True,mm2,0,0,0,6,0,0,0,1,0,0,0,1.0,False
B2Rh3Tb1,1,0.0,1.0,True,B2Rh3Tb1,B2Rh3Tb1,0.0,Other,True,B33.333Rh50Tb16.667,B-Rh-Tb,3,Supercon,Tb1Rh3B2,MP-mp-1072051,Tb1B2Rh3,B-Rh-Tb,B33.333Rh50Tb16.667,P 6/m m m,hexagonal,3.141917,5.443742001513725,5.44374212,data/final/MP/cifs/B2Rh3Tb1-MP-mp-1072051.cif,data/source/MP/raw/cifs/mp-1072051.cif,mp-1072051,0.0,,2018-03-22 08:03:06,10.07562059151766,,,{'GGA': {'task_id': 'mp-1702201'}},0.0022002999999966,6.40108012,520.0,-44.29193677,-7.381989461666667,"{'tags': ['TbRh3B2', 'Terbium rhodium boride (1/3/2)', 'ErIr3B2']}",-44.29193677,-7.381989461666667,-0.7009772530555551,['bandstructure'],True,[615319],True,2021-05-12 10:58:14.654000,NM,6,9,mp-1072051,,TbB2Rh3,"{'functional': 'PBE', 'labels': ['Tb_3', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Tb': 1.0, 'B': 2.0, 'Rh': 3.0}",GGA,mp-1072051,"['mp-1072051', 'mp-1072090', 'mp-1072126', 'mp-1206437', 'mp-1433974', 'mp-1702201', 'mp-1782358', 'mp-1588954', 'mp-1072123']",0.0007458,"{'Tb': 1.0, 'B': 2.0, 'Rh': 3.0}",80.6344114906521,[],NM,False,191,0,"[0, 0, 0, 0, 0, 0]",9.249152889104426e-06,0.0007458,0,0.0007458,MP,data/source/MP/cleaned/cifs/MP-mp-1072051.cif,False,,data/final/MP/graphs/B2Rh3Tb1-MP-mp-1072051.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ir0.94Pt0.06Te2,2,0.04,4.0,False,Ir3.76Pt0.24Te8,Ir4Te8,2.69,Other,True,Ir31.333Pt2Te66.667,Ir-Pt-Te,3,Supercon,Ir0.94Pt0.06Te2,MP-mp-569322,Te8Ir4,Ir-Te,Ir33.333Te66.667,P n m a,orthorhombic,4.049805,5.441863,13.587474,data/final/MP/cifs/Ir0.94Pt0.06Te2-MP-mp-569322-synth_doped.cif,data/source/MP/raw/cifs/mp-569322.cif,mp-569322,0.0,,2014-02-16 04:48:25,9.924328423353325,10.17188/1275037,"@misc{osti_1275037,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Te2Ir (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1275037"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1746248'}},0.0123894575000003,7.60847828,520.0,-63.94410921,-5.3286757675,{'tags': ['Iridium telluride (1/2)']},-63.94410921,-5.3286757675,-0.5683316741666667,"['xas', 'bandstructure']",True,[93894],True,2021-05-12 10:57:24.969000,NM,12,7,mp-569322,,Te2Ir,"{'functional': 'PBE', 'labels': ['Te', 'Ir'], 'pot_type': 'paw'}","{'Te': 2.0, 'Ir': 1.0}",GGA,mp-569322,"['mp-927873', 'mp-927408', 'mp-569322', 'mp-911451', 'mp-1392626', 'mp-1746248', 'mp-1810340']",0.000153075,"{'Te': 8.0, 'Ir': 4.0}",299.44732816890644,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.0447669503153013e-06,0.000153075,0,0.0006123,MP,data/source/MP/cleaned/cifs/MP-mp-569322.cif,True,,data/final/MP/graphs/Ir0.94Pt0.06Te2-MP-mp-569322-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ba2Cu1Hg1O4.066,2,0.0081824944210265,0.9839419576979832,True,Ba1.968Cu0.984Hg0.984O4,Ba2Cu1Hg1O4,88.5,Cuprate,True,Ba24.795Cu12.398Hg12.398O50.409124721051334,Ba-Cu-Hg-O,4,Supercon,Hg1Ba2Cu1O4.066,MP-mp-6562,Ba2Cu1Hg1O4,Ba-Cu-Hg-O,Ba25Cu12.5Hg12.5O50,P 4/m m m,tetragonal,3.933714,3.933714,9.827602,data/final/MP/cifs/Ba2Cu1Hg1O4.066-MP-mp-6562-synth_doped.cif,data/source/MP/raw/cifs/mp-6562.cif,mp-6562,0.0,,2011-05-13 18:18:06,6.582036471328142,10.17188/1281336,"@misc{osti_1281336,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2CuHgO4 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281336"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697135'}},0.0234340381250053,2.58068675,520.0,-40.91481298,-5.1143516225,"{'tags': ['Mercury dibarium copper oxide', 'High pressure experimental phase']}",-40.91481298,-5.1143516225,-1.953767533125,"['xas', 'bandstructure']",True,"[75722, 75720, 75724, 75721, 75723]",True,2021-05-12 10:57:32.679000,NM,8,8,mp-6562,oxide,Ba2CuHgO4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Cu_pv', 'Hg', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",GGA,mp-6562,"['mp-6562', 'mp-990899', 'mp-992892', 'mp-1435690', 'mp-1697135', 'mp-1878488', 'mp-994198', 'mp-1592659']",0.0003984,"{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",152.07335344042525,[],NM,False,123,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.619788352047311e-06,0.0003984,0,0.0003984,MP,data/source/MP/cleaned/cifs/MP-mp-6562.cif,True,,data/final/MP/graphs/Ba2Cu1Hg1O4.066-MP-mp-6562-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Bi2Ca1Cu2Sr2O8.1,2,0.0061810154525386,1.9753617283950615,False,Bi3.951Ca1.975Cu3.951Sr3.951O16,Bi4Ca2Cu4Sr4O16,90.0,Cuprate,True,Bi13.245Ca6.623Cu13.245Sr13.245O53.64238410596026,Bi-Ca-Cu-Sr-O,5,Supercon,Bi2Sr2Ca1Cu2O8.1,MP-mp-1218930,Sr4Ca2Cu4Bi4O16,Bi-Ca-Cu-Sr-O,Bi13.333Ca6.667Cu13.333Sr13.333O53.333333333333336,C c c 2,orthorhombic,5.417115,5.472898000129128,16.11398919,data/final/MP/cifs/Bi2Ca1Cu2Sr2O8.1-MP-mp-1218930-synth_doped.cif,data/source/MP/raw/cifs/mp-1218930.cif,mp-1218930,0.0,,2019-01-12 20:01:06.544000,6.266668983881059,,,,0.039252223722225,4.51768334,520.0,-173.15021002,-5.771673667333333,{'tags': []},-173.15021002,-5.771673667333333,-2.074956548222222,[],False,[],True,2021-05-12 11:00:42.526000,NM,30,3,mp-1218930,oxide,Sr2CaCu2(BiO4)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'O': 8.0}",GGA,mp-1218930,"['mp-1218930', 'mp-1359698', 'mp-1817714']",0.00011165,"{'Sr': 4.0, 'Ca': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'O': 16.0}",470.7976286073367,[],NM,False,37,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.743014544498498e-07,0.00011165,0,0.0002233,MP,data/source/MP/cleaned/cifs/MP-mp-1218930.cif,True,,data/final/MP/graphs/Bi2Ca1Cu2Sr2O8.1-MP-mp-1218930-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
Ag0.8Ga0.2,3,0.1,8.0,False,Ag6.4Ga1.6,Ag6Ga2,6.5,Other,True,Ag80Ga20,Ag-Ga,2,Supercon,Ag0.8Ga0.2,MP-mp-1184036,Ga2Ag6,Ag-Ga,Ag75Ga25,P 63/m m c,hexagonal,4.862227,5.839948001583782,5.83994772,data/final/MP/cifs/Ag0.8Ga0.2-MP-mp-1184036-synth_doped.cif,data/source/MP/raw/cifs/mp-1184036.cif,mp-1184036,0.0,,2019-01-11 12:28:57.461000,9.095984689127468,,,{'GGA': {'task_id': 'mp-1752496'}},0.0284127175000001,3.43845989,520.0,-23.11885236,-2.889856545,{'tags': []},-23.11885236,-2.889856545,-0.0084155368750002,['bandstructure'],True,[],True,2021-05-12 10:58:27.755000,NM,8,5,mp-1184036,,GaAg3,"{'functional': 'PBE', 'labels': ['Ga_d', 'Ag'], 'pot_type': 'paw'}","{'Ga': 1.0, 'Ag': 3.0}",GGA,mp-1184036,"['mp-1184036', 'mp-1393182', 'mp-1752496', 'mp-1927642', 'mp-1618451']",0.00115905,"{'Ga': 2.0, 'Ag': 6.0}",143.60970650109354,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",1.6141666580053545e-05,0.00115905,0,0.0023181,MP,data/source/MP/cleaned/cifs/MP-mp-1184036.cif,True,,data/final/MP/graphs/Ag0.8Ga0.2-MP-mp-1184036-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Al1Cr0.3Nb2.7,3,0.1499999999999999,2.0,False,Al2Cr0.6Nb5.4,Al2Nb6,14.1,Other,True,Al25Cr7.5Nb67.5,Al-Cr-Nb,3,Supercon,Al1Cr0.3Nb2.7,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al1Cr0.3Nb2.7-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al1Cr0.3Nb2.7-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cu1La1.762Sr0.238O4,3,0.0679999999999999,1.0,True,Cu1La1.762Sr0.238O4,Cu1La2O4,19.5,Cuprate,True,Cu14.286La25.171Sr3.4O57.142857142857146,Cu-La-Sr-O,4,Supercon,La1.762Sr0.238Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La1.762Sr0.238O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La1.762Sr0.238O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Mo3Te4,1,0.0,2.0,False,Mo6Te8,Mo6Te8,0.0,Chevrel,True,Mo42.857Te57.143,Mo-Te,2,Supercon,Mo3Te4,MP-mp-8601,Te8Mo6,Mo-Te,Mo42.857Te57.143,R -3,trigonal,7.18115738,7.181157379999999,7.18115712,data/final/MP/cifs/Mo3Te4-MP-mp-8601.cif,data/source/MP/raw/cifs/mp-8601.cif,mp-8601,0.0139000000000004,,2011-06-03 18:52:09,7.173536967277204,10.17188/1309175,"@misc{osti_1309175,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Te4Mo3 (SG:148) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1309175"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1705550'}},0.0,5.97560587,520.0,-93.76158534,-6.697256095714286,"{'tags': ['Molybdenum telluride (3/4)', 'Molybdenum telluride (6/8)']}",-93.76158534,-6.697256095714286,-0.4940942657142853,"['xas', 'elasticity', 'bandstructure']",True,"[59375, 644477]",True,2021-05-12 10:56:31.128000,NM,14,9,mp-8601,,Te4Mo3,"{'functional': 'PBE', 'labels': ['Te', 'Mo_pv'], 'pot_type': 'paw'}","{'Te': 4.0, 'Mo': 3.0}",GGA,mp-8601,"['mp-923260', 'mp-8601', 'mp-907970', 'mp-922488', 'mp-1104292', 'mp-1425724', 'mp-1705550', 'mp-1838781', 'mp-1602846']",0.00052515,"{'Te': 8.0, 'Mo': 6.0}",369.5458738939352,[],NM,False,148,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.842136996235144e-06,0.00052515,0,0.0010503,MP,data/source/MP/cleaned/cifs/MP-mp-8601.cif,False,,data/final/MP/graphs/Mo3Te4-MP-mp-8601.json,0,True,-3,0,0,0,0,0,0,2,1,0,0,0,1.0,False
Ca2Cl2Cu1O2,1,0.0,1.0,True,Ca2Cl2Cu1O2,Ca2Cl2Cu1O2,0.0,Cuprate,True,Ca28.571Cl28.571Cu14.286O28.571428571428573,Ca-Cl-Cu-O,4,Supercon,Ca2Cu1Cl2O2,MP-mp-23143,Ca2Cu1Cl2O2,Ca-Cl-Cu-O,Ca28.571Cl28.571Cu14.286O28.571428571428573,I 4/m m m,tetragonal,3.88024600076171,3.880246000761709,8.12907187,data/final/MP/cifs/Ca2Cl2Cu1O2-MP-mp-23143.cif,data/source/MP/raw/cifs/mp-23143.cif,mp-23143,0.0,,2014-02-21 09:50:06,3.554337150605878,10.17188/1199263,"@misc{osti_1199263,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ca2Cu(ClO)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199263"",
    place = ""United States"",
    year = ""2016"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700223'}},0.0191527683333321,4.19679796,520.0,-35.95348475,-5.136212107142858,"{'tags': ['Dicalcium copper dioxide dichloride', 'Dicalcium dichlorodioxocuprate']}",-35.95348475,-5.136212107142858,-2.407440427142858,"['xas', 'elasticity', 'bandstructure']",True,"[1027, 83117, 41581]",True,2021-05-12 10:56:16.728000,NM,7,8,mp-23143,oxide,Ca2Cu(ClO)2,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Cu_pv', 'Cl', 'O'], 'pot_type': 'paw'}","{'Ca': 2.0, 'Cu': 1.0, 'Cl': 2.0, 'O': 2.0}",GGA,mp-23143,"['mp-992231', 'mp-990553', 'mp-23143', 'mp-1436301', 'mp-1700223', 'mp-1803462', 'mp-993865', 'mp-1592909']",0.0134962,"{'Ca': 2.0, 'Cu': 1.0, 'Cl': 2.0, 'O': 2.0}",115.21141865211318,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001171429026557,0.0134962,0,0.0134962,MP,data/source/MP/cleaned/cifs/MP-mp-23143.cif,False,,data/final/MP/graphs/Ca2Cl2Cu1O2-MP-mp-23143.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
La1Ni0.1Pt0.9Si1,3,0.0666666666666666,2.0,False,La2Ni0.2Pt1.8Si2,La2Pt2Si2,3.23,Other,True,La33.333Ni3.333Pt30Si33.333,La-Ni-Pt-Si,4,Supercon,La1Pt0.9Ni0.1Si1,MP-mp-1206485,La2Si2Pt2,La-Pt-Si,La33.333Pt33.333Si33.333,I 41 m d,tetragonal,4.277808001286174,4.277808001286175,7.94541446,data/final/MP/cifs/La1Ni0.1Pt0.9Si1-MP-mp-1206485-synth_doped.cif,data/source/MP/raw/cifs/mp-1206485.cif,mp-1206485,0.0,,2019-01-12 09:47:13.211000,8.943745313538361,,,{'GGA': {'task_id': 'mp-1734531'}},0.0,7.90579938,520.0,-39.77896993,-6.629828321666667,{'tags': ['LaPtSi']},-39.77896993,-6.629828321666667,-1.1287520433333331,['bandstructure'],True,[],True,2021-05-12 10:58:37.524000,NM,6,5,mp-1206485,,LaSiPt,"{'functional': 'PBE', 'labels': ['La', 'Si', 'Pt'], 'pot_type': 'paw'}","{'La': 1.0, 'Si': 1.0, 'Pt': 1.0}",GGA,mp-1206485,"['mp-1206485', 'mp-1387492', 'mp-1734531', 'mp-1788111', 'mp-1628393']",1.825e-05,"{'La': 2.0, 'Si': 2.0, 'Pt': 2.0}",134.4491846861766,[],NM,False,109,0,"[0, 0, 0, 0, 0, 0]",2.714780315343388e-07,1.825e-05,0,3.65e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1206485.cif,True,,data/final/MP/graphs/La1Ni0.1Pt0.9Si1-MP-mp-1206485-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,0,0,1,0,1.0,False
Ba0.7K0.3Sb2Ti2O1,3,0.1,1.0,True,Ba0.7K0.3Sb2Ti2O1,Ba1Sb2Ti2O1,0.0,Oxide,True,Ba11.667K5Sb33.333Ti33.333O16.666666666666668,Ba-K-Sb-Ti-O,5,Supercon,Ba0.7K0.3Ti2Sb2O1,MP-mp-1070806,Ba1Ti2Sb2O1,Ba-Sb-Ti-O,Ba16.667Sb33.333Ti33.333O16.666666666666668,P 4/m m m,tetragonal,4.113474,4.113474,8.312382,data/final/MP/cifs/Ba0.7K0.3Sb2Ti2O1-MP-mp-1070806-synth_doped.cif,data/source/MP/raw/cifs/mp-1070806.cif,mp-1070806,0.0,,2018-03-22 04:02:04,5.8154485533321445,,,{'GGA': {'task_id': 'mp-1702174'}},0.0,5.89751533,520.0,-39.14932631,-6.524887718333333,{'tags': []},-39.14932631,-6.524887718333333,-1.5507346602777776,['bandstructure'],True,"[430061, 237789, 430060]",True,2021-05-12 10:58:14.654000,NM,6,16,mp-1070806,oxide,BaTi2Sb2O,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ti_pv', 'Sb', 'O'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Ti': 2.0, 'Sb': 2.0, 'O': 1.0}",GGA,mp-1070806,"['mp-1071055', 'mp-1071068', 'mp-1071083', 'mp-1071088', 'mp-1070806', 'mp-1071124', 'mp-1070846', 'mp-1070900', 'mp-1071137', 'mp-1423542', 'mp-1702174', 'mp-1785425', 'mp-1588663', 'mp-1070899', 'mp-1071129', 'mp-1071119']",0.001055,"{'Ba': 1.0, 'Ti': 2.0, 'Sb': 2.0, 'O': 1.0}",140.65105900950408,[],NM,False,123,0,"[0, 0, 0, 0, 0, 0]",7.500832254158225e-06,0.001055,0,0.001055,MP,data/source/MP/cleaned/cifs/MP-mp-1070806.cif,True,,data/final/MP/graphs/Ba0.7K0.3Sb2Ti2O1-MP-mp-1070806-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Bi1Te2Tl1,1,0.0,1.0,True,Bi1Te2Tl1,Bi1Te2Tl1,0.141,Other,True,Bi25Te50Tl25,Bi-Te-Tl,3,Supercon,Tl1Bi1Te2,MP-mp-27438,Tl1Bi1Te2,Bi-Te-Tl,Bi25Te50Tl25,R -3 m,trigonal,4.592823379793589,4.592823379793589,8.43262933,data/final/MP/cifs/Bi1Te2Tl1-MP-mp-27438.cif,data/source/MP/raw/cifs/mp-27438.cif,mp-27438,0.4149000000000002,,2013-06-22 04:29:16,7.591849870135141,10.17188/1201651,"@misc{osti_1201651,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TlBiTe2 (SG:166) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201651"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696745'}},0.0,4.50819126,520.0,-13.78766621,-3.4469165525,"{'tags': ['Thallium bismuth telluride (1/1/2)', 'Bismuth thallium telluride']}",-13.78766621,-3.4469165525,-0.523096723333333,"['diel', 'xas', 'elasticity', 'bandstructure']",True,"[617200, 15412]",True,2021-05-12 10:56:18.721000,NM,4,11,mp-27438,,TlBiTe2,"{'functional': 'PBE', 'labels': ['Tl_d', 'Bi', 'Te'], 'pot_type': 'paw'}","{'Tl': 1.0, 'Bi': 1.0, 'Te': 2.0}",GGA,mp-27438,"['mp-634986', 'mp-27438', 'mp-1064936', 'mp-1064966', 'mp-1065004', 'mp-1141985', 'mp-1432573', 'mp-1696745', 'mp-1780390', 'mp-1590243', 'mp-1064994']",0.0005613,"{'Tl': 1.0, 'Bi': 1.0, 'Te': 2.0}",146.2326259542959,[],NM,False,166,0,"[0, 0, 0, 0]",3.838404708504864e-06,0.0005613,0,0.0005613,MP,data/source/MP/cleaned/cifs/MP-mp-27438.cif,False,,data/final/MP/graphs/Bi1Te2Tl1-MP-mp-27438.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
As1F0.15Fe1La0.5Y0.5O0.85,3,0.075,2.0,False,As2F0.3Fe2La1Y1O1.7,As2Fe2La1Y1O2,40.2,Ferrite,True,As25F3.75Fe25La12.5Y12.5O21.25,As-F-Fe-La-Y-O,6,Supercon,La0.5Y0.5Fe1As1F0.15O0.85,MP-mp-1222786,La1Y1Fe2As2O2,As-Fe-La-Y-O,As25Fe25La12.5Y12.5O25,P 4 m m,tetragonal,4.113923,4.113923,8.980687,data/final/MP/cifs/As1F0.15Fe1La0.5Y0.5O0.85-MP-mp-1222786-synth_doped.cif,data/source/MP/raw/cifs/mp-1222786.cif,mp-1222786,0.0,,2019-01-12 23:16:19.599000,5.695751494849528,,,{'GGA+U': {'task_id': 'mp-1754089'}},0.2822735440104154,5.1653492,520.0,-55.19504052,-6.899380065,{'tags': []},-55.19504052,-6.899380065,-1.6905483227083336,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,FM,8,5,mp-1222786,oxide,LaYFe2(AsO)2,"{'functional': 'PBE', 'labels': ['La', 'Y_sv', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'La': 1.0, 'Y': 1.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",GGA+U,mp-1222786,"['mp-1222786', 'mp-1398732', 'mp-1754089', 'mp-1779506', 'mp-1619122']",7.653468,"{'La': 1.0, 'Y': 1.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",151.99240183736552,[],FM,True,99,1,"[0.0, 0.0, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0]",0.0503542802632288,7.653468,2,7.653468,MP,data/source/MP/cleaned/cifs/MP-mp-1222786.cif,True,,data/final/MP/graphs/As1F0.15Fe1La0.5Y0.5O0.85-MP-mp-1222786-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,1,0,0,0,1.0,False
C1Hf2In1,1,0.0,2.0,False,C2Hf4In2,C2Hf4In2,0.0,Other,True,C25Hf50In25,C-Hf-In,3,Supercon,C1Hf2In1,MP-mp-22156,Hf4In2C2,C-Hf-In,C25Hf50In25,P 63/m m c,hexagonal,3.323016000650924,3.32301663,14.907403,data/final/MP/cifs/C1Hf2In1-MP-mp-22156.cif,data/source/MP/raw/cifs/mp-22156.cif,mp-22156,0.0,,2014-02-21 15:10:11,11.27081103662267,10.17188/1197383,"@misc{osti_1197383,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Hf2InC (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197383"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701932'}},0.0,6.4350846,520.0,-69.46247642,-8.6828095525,"{'tags': ['Hafnium indium carbide (2/1/1)', 'High pressure experimental phase']}",-69.46247642,-8.6828095525,-0.7095990200000006,"['xas', 'elasticity', 'bandstructure']",True,"[161970, 163521, 161969, 161971, 163520, 163508, 618021]",True,2021-05-12 10:56:16.728000,NM,8,8,mp-22156,,Hf2InC,"{'functional': 'PBE', 'labels': ['Hf_pv', 'In_d', 'C'], 'pot_type': 'paw'}","{'Hf': 2.0, 'In': 1.0, 'C': 1.0}",GGA,mp-22156,"['mp-919129', 'mp-920158', 'mp-906382', 'mp-22156', 'mp-1438262', 'mp-1701932', 'mp-1924348', 'mp-1594886']",0.00041475,"{'Hf': 4.0, 'In': 2.0, 'C': 2.0}",142.55997097289554,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",5.818603878347521e-06,0.00041475,0,0.0008295,MP,data/source/MP/cleaned/cifs/MP-mp-22156.cif,False,,data/final/MP/graphs/C1Hf2In1-MP-mp-22156.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Cu3Nd0.2Pr0.8O7,3,0.0461538461538461,2.0,False,Ba4Cu6Nd0.4Pr1.6O14,Ba4Cu6Nd1Pr1O14,0.0,Cuprate,True,Ba15.385Cu23.077Nd1.538Pr6.154O53.84615384615385,Ba-Cu-Nd-Pr-O,5,Supercon,Nd0.2Pr0.8Ba2Cu3O7,MP-mp-1228202,Ba4Pr1Nd1Cu6O14,Ba-Cu-Nd-Pr-O,Ba15.385Cu23.077Nd3.846Pr3.846O53.84615384615385,P m m m,orthorhombic,3.889567,3.959351,23.802181,data/final/MP/cifs/Ba2Cu3Nd0.2Pr0.8O7-MP-mp-1228202-synth_doped.cif,data/source/MP/raw/cifs/mp-1228202.cif,mp-1228202,0.0,,2019-01-13 03:56:34.978000,6.5220887552009446,,,,0.0255490605208263,3.22208434,520.0,-157.3612514,-6.0523558230769225,{'tags': []},-157.3612514,-6.0523558230769225,-2.149524293653845,[],False,[],True,2021-05-12 11:00:59.151000,NM,26,3,mp-1228202,oxide,Ba4PrNd(Cu3O7)2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pr_3', 'Nd_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 4.0, 'Pr': 1.0, 'Nd': 1.0, 'Cu': 6.0, 'O': 14.0}",GGA,mp-1228202,"['mp-1228202', 'mp-1375393', 'mp-1836040']",0.0068628,"{'Ba': 4.0, 'Pr': 1.0, 'Nd': 1.0, 'Cu': 6.0, 'O': 14.0}",366.557419337326,[],NM,False,47,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, 0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",1.8722305532395948e-05,0.0068628,0,0.0068628,MP,data/source/MP/cleaned/cifs/MP-mp-1228202.cif,True,,data/final/MP/graphs/Ba2Cu3Nd0.2Pr0.8O7-MP-mp-1228202-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
B2C1Dy0.2Lu0.8Ni2,3,0.0666666666666666,1.0,True,B2C1Dy0.2Lu0.8Ni2,B2C1Lu1Ni2,11.8,Other,True,B33.333C16.667Dy3.333Lu13.333Ni33.333,B-C-Dy-Lu-Ni,5,Supercon,Lu0.8Dy0.2Ni2B2C1,MP-mp-6544,Lu1Ni2B2C1,B-C-Lu-Ni,B33.333C16.667Lu16.667Ni33.333,I 4/m m m,tetragonal,3.4660159989239463,3.4660159989239463,5.81490896,data/final/MP/cifs/B2C1Dy0.2Lu0.8Ni2-MP-mp-6544-synth_doped.cif,data/source/MP/raw/cifs/mp-6544.cif,mp-6544,0.0,,2011-05-13 04:17:06,8.54504130524706,10.17188/1281287,"@misc{osti_1281287,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LuNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281287"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702891'}},0.0,6.71335166,520.0,-41.78223818,-6.963706363333333,{'tags': []},-41.78223818,-6.963706363333333,-0.5192416763888884,"['xas', 'bandstructure']",True,"[75609, 83230, 79564]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6544,,LuNi2B2C,"{'functional': 'PBE', 'labels': ['Lu_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6544,"['mp-1000584', 'mp-1007055', 'mp-6544', 'mp-1441469', 'mp-1702891', 'mp-1783160', 'mp-1011794', 'mp-1588498']",0.0023161,"{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",63.34823894903922,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",3.656139520884231e-05,0.0023161,0,0.0023161,MP,data/source/MP/cleaned/cifs/MP-mp-6544.cif,True,,data/final/MP/graphs/B2C1Dy0.2Lu0.8Ni2-MP-mp-6544-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ga0.8Nb3Sn0.2,3,0.15,2.0,False,Ga1.6Nb6Sn0.4,Ga1Nb6Sn1,14.65,Other,True,Ga20Nb75Sn5,Ga-Nb-Sn,3,Supercon,Nb3Sn0.2Ga0.8,MP-mp-1220342,Nb6Ga1Sn1,Ga-Nb-Sn,Ga12.5Nb75Sn12.5,P m -3,cubic,5.267319,5.267319,5.267319,data/final/MP/cifs/Ga0.8Nb3Sn0.2-MP-mp-1220342-synth_doped.cif,data/source/MP/raw/cifs/mp-1220342.cif,mp-1220342,0.0,,2019-01-12 21:12:16.669000,8.475086109299342,,,{'GGA': {'task_id': 'mp-1733533'}},0.0480318309375,5.78514107,520.0,-68.8247362,-8.603092025,{'tags': []},-68.8247362,-8.603092025,-0.1474047603125008,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,8,5,mp-1220342,,Nb6GaSn,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Ga_d', 'Sn_d'], 'pot_type': 'paw'}","{'Nb': 6.0, 'Ga': 1.0, 'Sn': 1.0}",GGA,mp-1220342,"['mp-1220342', 'mp-1392260', 'mp-1733533', 'mp-1929075', 'mp-1619541']",0.5383733,"{'Nb': 6.0, 'Ga': 1.0, 'Sn': 1.0}",146.13991918453098,[],NM,False,200,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0036839578330421,0.5383733,0,0.5383733,MP,data/source/MP/cleaned/cifs/MP-mp-1220342.cif,True,,data/final/MP/graphs/Ga0.8Nb3Sn0.2-MP-mp-1220342-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,1,0,0,0,1.0,False
Ce1Co0.07Ru1.93,2,0.0466666666666666,2.0,False,Ce2Co0.14Ru3.86,Ce2Ru4,1.93,Heavy_fermion,True,Ce33.333Co2.333Ru64.333,Ce-Co-Ru,3,Supercon,Ce1Ru1.93Co0.07,MP-mp-607,Ce2Ru4,Ce-Ru,Ce33.333Ru66.667,F d -3 m,cubic,5.35903077,5.35903077,5.35903077,data/final/MP/cifs/Ce1Co0.07Ru1.93-MP-mp-607-synth_doped.cif,data/source/MP/raw/cifs/mp-607.cif,mp-607,0.0,,2011-05-13 22:34:26,10.444470046690055,10.17188/1277529,"@misc{osti_1277529,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeRu2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277529"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686879'}},0.0,8.61419203,520.0,-50.66413619,-8.444022698333333,"{'tags': ['Cerium ruthenium (1/2)', 'Cerium ruthenium hydride (1/2/4)']}",-50.66413619,-8.444022698333333,-0.2833998766666663,"['xas', 'elasticity', 'bandstructure']",True,"[621326, 656077, 621978, 621973, 621980, 621984, 102277, 621972, 621976, 621979, 604113, 621977, 621982, 621983, 102276, 656078]",True,2021-05-12 10:56:27.046000,NM,6,14,mp-607,,CeRu2,"{'functional': 'PBE', 'labels': ['Ce', 'Ru_pv'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Ru': 2.0}",GGA,mp-607,"['mp-928203', 'mp-912221', 'mp-928809', 'mp-607', 'mp-1071462', 'mp-1071593', 'mp-1071613', 'mp-1077792', 'mp-1440763', 'mp-1686879', 'mp-1803198', 'mp-1591928', 'mp-1591642', 'mp-1071635']",1.005e-05,"{'Ce': 2.0, 'Ru': 4.0}",108.82877852828122,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",1.846937939745105e-07,1.005e-05,0,2.01e-05,MP,data/source/MP/cleaned/cifs/MP-mp-607.cif,True,,data/final/MP/graphs/Ce1Co0.07Ru1.93-MP-mp-607-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Al1Nb2.859Zr0.141,3,0.0705,2.0,False,Al2Nb5.718Zr0.282,Al2Nb6,13.6,Other,True,Al25Nb71.475Zr3.525,Al-Nb-Zr,3,Supercon,Nb2.859Zr0.141Al1,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al1Nb2.859Zr0.141-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al1Nb2.859Zr0.141-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Hf0.6V2Zr0.4,3,0.0666666666666666,2.0,False,Hf1.2V4Zr0.8,Hf1V4Zr1,9.935,Other,True,Hf20V66.667Zr13.333,Hf-V-Zr,3,Supercon,Hf0.6Zr0.4V2,MP-mp-1224085,Hf1Zr1V4,Hf-V-Zr,Hf16.667V66.667Zr16.667,F -4 3 m,cubic,5.18701573,5.187015729999999,5.187015729999999,data/final/MP/cifs/Hf0.6V2Zr0.4-MP-mp-1224085-synth_doped.cif,data/source/MP/raw/cifs/mp-1224085.cif,mp-1224085,0.0,,2019-01-13 00:23:09.162000,7.967334263158579,,,{'GGA': {'task_id': 'mp-1756967'}},0.0410283783333351,5.00695262,520.0,-54.59434349,-9.099057248333333,{'tags': []},-54.59434349,-9.099057248333333,0.0410283783333322,['bandstructure'],True,[],True,2021-05-12 10:58:45.495000,FM,6,5,mp-1224085,,HfZrV4,"{'functional': 'PBE', 'labels': ['Hf_pv', 'Zr_sv', 'V_pv'], 'pot_type': 'paw'}","{'Hf': 1.0, 'Zr': 1.0, 'V': 4.0}",GGA,mp-1224085,"['mp-1224085', 'mp-1444296', 'mp-1756967', 'mp-1796002', 'mp-1624522']",0.362572,"{'Hf': 1.0, 'Zr': 1.0, 'V': 4.0}",98.68194446031352,[],FM,True,160,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.1]",0.0036741473020509,0.362572,3,0.362572,MP,data/source/MP/cleaned/cifs/MP-mp-1224085.cif,True,,data/final/MP/graphs/Hf0.6V2Zr0.4-MP-mp-1224085-synth_doped.json,0,True,-43m,5,0,0,0,0,0,0,0,0,0,1,1.0,False
Th0.25Y0.75,1,0.0,8.0,False,Th2Y6,Th2Y6,0.0,Other,True,Th25Y75,Th-Y,2,Supercon,Th0.25Y0.75,MP-mp-981549,Y6Th2,Th-Y,Th25Y75,P 63/m m c,hexagonal,5.810556,7.233254004006151,7.23325425,data/final/MP/cifs/Th0.25Y0.75-MP-mp-981549.cif,data/source/MP/raw/cifs/mp-981549.cif,mp-981549,0.0,,2015-10-12 02:40:56,6.291455259542456,10.17188/1316362,"@misc{osti_1316362,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Y3Th (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1316362"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1744331'}},0.0548695837499995,4.12891954,520.0,-53.18758651,-6.64844831375,{'tags': []},-53.18758651,-6.64844831375,0.0548695837499995,"['xas', 'bandstructure']",True,[],True,2021-05-12 10:57:57.486000,NM,8,7,mp-981549,,Y3Th,"{'functional': 'PBE', 'labels': ['Y_sv', 'Th'], 'pot_type': 'paw'}","{'Y': 3.0, 'Th': 1.0}",GGA,mp-981549,"['mp-981692', 'mp-982428', 'mp-981549', 'mp-1385796', 'mp-1744331', 'mp-1926220', 'mp-983435']",0.1640027,"{'Y': 6.0, 'Th': 2.0}",263.2787299360512,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0012458484590823,0.1640027,0,0.3280054,MP,data/source/MP/cleaned/cifs/MP-mp-981549.cif,False,,data/final/MP/graphs/Th0.25Y0.75-MP-mp-981549.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As1Fe1La0.7Y0.3O1,3,0.0999999999999999,2.0,False,As2Fe2La1.4Y0.6O2,As2Fe2La1Y1O2,0.0,Ferrite,True,As25Fe25La17.5Y7.5O25,As-Fe-La-Y-O,5,Supercon,La0.7Y0.3Fe1As1O1,MP-mp-1222786,La1Y1Fe2As2O2,As-Fe-La-Y-O,As25Fe25La12.5Y12.5O25,P 4 m m,tetragonal,4.113923,4.113923,8.980687,data/final/MP/cifs/As1Fe1La0.7Y0.3O1-MP-mp-1222786-synth_doped.cif,data/source/MP/raw/cifs/mp-1222786.cif,mp-1222786,0.0,,2019-01-12 23:16:19.599000,5.695751494849528,,,{'GGA+U': {'task_id': 'mp-1754089'}},0.2822735440104154,5.1653492,520.0,-55.19504052,-6.899380065,{'tags': []},-55.19504052,-6.899380065,-1.6905483227083336,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,FM,8,5,mp-1222786,oxide,LaYFe2(AsO)2,"{'functional': 'PBE', 'labels': ['La', 'Y_sv', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'La': 1.0, 'Y': 1.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",GGA+U,mp-1222786,"['mp-1222786', 'mp-1398732', 'mp-1754089', 'mp-1779506', 'mp-1619122']",7.653468,"{'La': 1.0, 'Y': 1.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",151.99240183736552,[],FM,True,99,1,"[0.0, 0.0, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0]",0.0503542802632288,7.653468,2,7.653468,MP,data/source/MP/cleaned/cifs/MP-mp-1222786.cif,True,,data/final/MP/graphs/As1Fe1La0.7Y0.3O1-MP-mp-1222786-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,1,0,0,0,1.0,False
Ba1Pd2,1,0.0,2.0,False,Ba2Pd4,Ba2Pd4,0.0,Other,True,Ba33.333Pd66.667,Ba-Pd,2,Supercon,Ba1Pd2,MP-mp-1687,Ba2Pd4,Ba-Pd,Ba33.333Pd66.667,F d -3 m,cubic,5.750369119999999,5.750369119999999,5.750369119999999,data/final/MP/cifs/Ba1Pd2-MP-mp-1687.cif,data/source/MP/raw/cifs/mp-1687.cif,mp-1687,0.0,,2011-05-13 08:24:53,8.649323412504696,10.17188/1192214,"@misc{osti_1192214,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BaPd2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1192214"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703760'}},0.0,4.26611835,520.0,-28.02422061,-4.670703435,{'tags': ['Barium palladium (1/2)']},-28.02422061,-4.670703435,-0.5777919516666667,"['xas', 'elasticity', 'bandstructure']",True,"[58671, 616027]",True,2021-05-12 10:56:14.760000,NM,6,8,mp-1687,,BaPd2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pd'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Pd': 2.0}",GGA,mp-1687,"['mp-941063', 'mp-941376', 'mp-934518', 'mp-1687', 'mp-1434586', 'mp-1703760', 'mp-1786742', 'mp-1593949']",0.0028811,"{'Ba': 2.0, 'Pd': 4.0}",134.45351864019145,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",4.285644628921997e-05,0.0028811,0,0.0057622,MP,data/source/MP/cleaned/cifs/MP-mp-1687.cif,False,,data/final/MP/graphs/Ba1Pd2-MP-mp-1687.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ba1Ge2,1,0.0,8.0,False,Ba8Ge16,Ba8Ge16,4.93,Other,True,Ba33.333Ge66.667,Ba-Ge,2,Supercon,Ba1Ge2,MP-mp-2139,Ba8Ge16,Ba-Ge,Ba33.333Ge66.667,P n m a,orthorhombic,6.877045,9.269929,11.729169,data/final/MP/cifs/Ba1Ge2-MP-mp-2139.cif,data/source/MP/raw/cifs/mp-2139.cif,mp-2139,0.5723999999999996,,2011-05-23 05:23:56,5.020841151455595,10.17188/1196839,"@misc{osti_1196839,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BaGe2 (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196839"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1759896'}},0.0,3.16594392,520.0,-102.04640115,-4.25193338125,"{'tags': ['Barium germanide (1/2)', 'Dibarium tetrahedro-tetragermanide']}",-102.04640115,-4.25193338125,-0.5302578679166666,"['diel', 'xas', 'bandstructure']",True,"[615881, 409260, 615885, 157612, 84950]",True,2021-05-12 10:56:45.290000,NM,24,11,mp-2139,,BaGe2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ge_d'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Ge': 2.0}",GGA,mp-2139,"['mp-661368', 'mp-670960', 'mp-2139', 'mp-1140924', 'mp-1191442', 'mp-1192148', 'mp-1406233', 'mp-1759896', 'mp-1936219', 'mp-1625509', 'mp-692687']",0.0006041125,"{'Ba': 8.0, 'Ge': 16.0}",747.7312264437235,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.463418711273708e-06,0.0006041125,0,0.0048329,MP,data/source/MP/cleaned/cifs/MP-mp-2139.cif,False,,data/final/MP/graphs/Ba1Ge2-MP-mp-2139.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ca1Li2,1,0.0,2.0,False,Ca2Li4,Ca2Li4,13.0,Other,True,Ca33.333Li66.667,Ca-Li,2,Supercon,Ca1Li2,MP-mp-11644,Li4Ca2,Ca-Li,Ca33.333Li66.667,F d -3 m,cubic,6.173500400000001,6.1735004,6.1735004,data/final/MP/cifs/Ca1Li2-MP-mp-11644.cif,data/source/MP/raw/cifs/mp-11644.cif,mp-11644,0.0,,2011-05-27 21:26:47,1.077138599119172,10.17188/1188124,"@misc{osti_1188124,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Li2Ca (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1188124"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697270'}},0.0,0.9204649,520.0,-11.71656887,-1.9527614783333327,{'tags': ['Calcium lithium (1/2) - beta']},-11.71656887,-1.9527614783333327,-0.0116129405555553,"['xas', 'elasticity', 'bandstructure']",True,[413207],True,2021-05-12 10:56:12.755000,NM,6,7,mp-11644,,Li2Ca,"{'functional': 'PBE', 'labels': ['Li_sv', 'Ca_sv'], 'pot_type': 'paw'}","{'Li': 2.0, 'Ca': 1.0}",GGA,mp-11644,"['mp-912918', 'mp-929179', 'mp-11644', 'mp-929575', 'mp-1413447', 'mp-1697270', 'mp-1789562']",0.05699755,"{'Li': 4.0, 'Ca': 2.0}",166.37169646878948,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",0.0006851832518362,0.05699755,0,0.1139951,MP,data/source/MP/cleaned/cifs/MP-mp-11644.cif,False,,data/final/MP/graphs/Ca1Li2-MP-mp-11644.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Fe2K0.8Se1.96,3,0.0638655462184874,1.0,True,Fe2K0.8Se1.96,Fe2K1Se2,29.5,Ferrite,True,Fe42.017K16.807Se41.176,Fe-K-Se,3,Supercon,K0.8Fe2Se1.96,MP-mp-1070735,K1Fe2Se2,Fe-K-Se,Fe40K20Se40,I 4/m m m,tetragonal,3.783558000712664,3.783558000712664,7.91886339,data/final/MP/cifs/Fe2K0.8Se1.96-MP-mp-1070735-synth_doped.cif,data/source/MP/raw/cifs/mp-1070735.cif,mp-1070735,0.0,,2018-03-22 03:52:22,4.804538531009527,,,{'GGA': {'task_id': 'mp-1761650'}},0.0327827750000011,3.42423866,520.0,-27.50456218,-5.500912436,{'tags': ['Potassium iron selenide (1/2/2)']},-27.50456218,-5.500912436,-0.6812646755374999,['bandstructure'],True,[186573],True,2021-05-12 10:58:14.654000,FM,5,8,mp-1070735,,K(FeSe)2,"{'functional': 'PBE', 'labels': ['K_sv', 'Fe_pv', 'Se'], 'pot_type': 'paw'}","{'K': 1.0, 'Fe': 2.0, 'Se': 2.0}",GGA,mp-1070735,"['mp-1070735', 'mp-1070765', 'mp-1070841', 'mp-1416829', 'mp-1761650', 'mp-1797161', 'mp-1585994', 'mp-1070830']",6.0503851,"{'K': 1.0, 'Fe': 2.0, 'Se': 2.0}",106.69540665041993,[],FM,True,139,1,"[0.0, 2.8, 2.8, 0.0, 0.0]",0.0567070813069176,6.0503851,2,6.0503851,MP,data/source/MP/cleaned/cifs/MP-mp-1070735.cif,True,,data/final/MP/graphs/Fe2K0.8Se1.96-MP-mp-1070735-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ce0.2Cu2Gd0.8Ru1Sr2O8,3,0.0285714285714285,2.0,False,Ce0.4Cu4Gd1.6Ru2Sr4O16,Cu4Gd2Ru2Sr4O16,0.0,Cuprate,True,Ce1.429Cu14.286Gd5.714Ru7.143Sr14.286O57.142857142857146,Ce-Cu-Gd-Ru-Sr-O,6,Supercon,Ru1Sr2Gd0.8Ce0.2Cu2O8,MP-mp-1194240,Sr4Gd2Cu4Ru2O16,Cu-Gd-Ru-Sr-O,Cu14.286Gd7.143Ru7.143Sr14.286O57.142857142857146,P 4/m b m,tetragonal,5.472451,5.472451,11.740702,data/final/MP/cifs/Ce0.2Cu2Gd0.8Ru1Sr2O8-MP-mp-1194240-synth_doped.cif,data/source/MP/raw/cifs/mp-1194240.cif,mp-1194240,0.0,,2019-01-11 23:51:58.932000,6.504561898971391,,,{'GGA': {'task_id': 'mp-1765260'}},0.0213449239285443,3.93502801,520.0,-201.55352223,-7.198340079642857,"{'tags': ['Sr2Cu2GdRuO8 orth', 'Sr2Cu2GdRuO8', 'Ruthenium distrontium gadolinium dicopper octaoxide']}",-201.55352223,-7.198340079642857,-2.268654352380952,['bandstructure'],True,[245741],True,2021-05-12 10:58:35.561000,FiM,28,6,mp-1194240,oxide,Sr2GdCu2RuO8,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Gd', 'Cu_pv', 'Ru_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Gd': 1.0, 'Cu': 2.0, 'Ru': 1.0, 'O': 8.0}",GGA,mp-1194240,"['mp-1194240', 'mp-1396976', 'mp-1659973', 'mp-1765260', 'mp-1841948', 'mp-1638264']",4.23696715,"{'Sr': 4.0, 'Gd': 2.0, 'Cu': 4.0, 'Ru': 2.0, 'O': 16.0}",351.6072554818909,[],FiM,True,127,2,"[-0.0, -0.0, -0.0, -0.0, 6.9, 6.9, 0.0, 0.0, 0.0, 0.0, -1.8, -1.8, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0241005672319991,4.23696715,4,8.4739343,MP,data/source/MP/cleaned/cifs/MP-mp-1194240.cif,True,,data/final/MP/graphs/Ce0.2Cu2Gd0.8Ru1Sr2O8-MP-mp-1194240-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ir3Sc1,1,0.0,1.0,True,Ir3Sc1,Ir3Sc1,0.0,Other,True,Ir75Sc25,Ir-Sc,2,Supercon,Ir3Sc1,MP-mp-12593,Sc1Ir3,Ir-Sc,Ir75Sc25,P m -3 m,cubic,3.94896,3.94896,3.94896,data/final/MP/cifs/Ir3Sc1-MP-mp-12593.cif,data/source/MP/raw/cifs/mp-12593.cif,mp-12593,0.0,,2011-05-27 23:07:10,16.761648475281053,10.17188/1188996,"@misc{osti_1188996,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ScIr3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1188996"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696199'}},0.0,7.94147894,520.0,-35.33214508,-8.83303627,{'tags': ['Iridium scandium (3/1)']},-35.33214508,-8.83303627,-0.6210961787499993,"['xas', 'elasticity', 'bandstructure']",True,[108568],True,2021-05-12 10:56:12.755000,NM,4,8,mp-12593,,ScIr3,"{'functional': 'PBE', 'labels': ['Sc_sv', 'Ir'], 'pot_type': 'paw'}","{'Sc': 1.0, 'Ir': 3.0}",GGA,mp-12593,"['mp-914311', 'mp-930925', 'mp-931047', 'mp-12593', 'mp-1413043', 'mp-1696199', 'mp-1784058', 'mp-1595735']",0.0001333,"{'Sc': 1.0, 'Ir': 3.0}",61.58120801583514,[],NM,False,221,0,"[0, 0, 0, 0]",2.164621388487912e-06,0.0001333,0,0.0001333,MP,data/source/MP/cleaned/cifs/MP-mp-12593.cif,False,,data/final/MP/graphs/Ir3Sc1-MP-mp-12593.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ce1In5Ir0.9Rh0.1,2,0.0285714285714285,1.0,True,Ce1In5Ir0.9Rh0.1,Ce1In5Ir1,0.35,Heavy_fermion,True,Ce14.286In71.429Ir12.857Rh1.429,Ce-In-Ir-Rh,4,Supercon,Ce1Rh0.1Ir0.9In5,MP-mp-20975,Ce1In5Ir1,Ce-In-Ir,Ce14.286In71.429Ir14.286,P 4/m m m,tetragonal,4.724199,4.724199,7.575801,data/final/MP/cifs/Ce1In5Ir0.9Rh0.1-MP-mp-20975-synth_doped.cif,data/source/MP/raw/cifs/mp-20975.cif,mp-20975,0.0,,2014-02-21 16:15:16,8.902153726103897,10.17188/1196209,"@misc{osti_1196209,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeIn5Ir (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196209"",
    place = ""United States"",
    year = ""2015"",
    month = ""1"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688300'}},0.0,8.1498488,520.0,-31.20695684,-4.458136691428572,{'tags': ['Cerium iridium indide (1/1/5)']},-31.20695684,-4.458136691428572,-0.3824312307142854,"['xas', 'bandstructure']",True,[150225],True,2021-05-12 10:56:57.051000,FM,7,8,mp-20975,,CeIn5Ir,"{'functional': 'PBE', 'labels': ['Ce', 'In_d', 'Ir'], 'pot_type': 'paw'}","{'Ce': 1.0, 'In': 5.0, 'Ir': 1.0}",GGA,mp-20975,"['mp-919528', 'mp-918523', 'mp-905302', 'mp-20975', 'mp-1300982', 'mp-1688300', 'mp-1832383', 'mp-1591628']",0.1040192,"{'Ce': 1.0, 'In': 5.0, 'Ir': 1.0}",169.077152414387,[],FM,True,123,1,"[0.1, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0006152173638757,0.1040192,1,0.1040192,MP,data/source/MP/cleaned/cifs/MP-mp-20975.cif,True,,data/final/MP/graphs/Ce1In5Ir0.9Rh0.1-MP-mp-20975-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Tc0.5Ti0.5,1,0.0,2.0,False,Tc1Ti1,Tc1Ti1,0.0,Other,True,Tc50Ti50,Tc-Ti,2,Supercon,Tc0.5Ti0.5,MP-mp-11573,Ti1Tc1,Tc-Ti,Tc50Ti50,P m -3 m,cubic,3.106861,3.106861,3.106861,data/final/MP/cifs/Tc0.5Ti0.5-MP-mp-11573.cif,data/source/MP/raw/cifs/mp-11573.cif,mp-11573,0.0,,2011-05-27 18:24:53,8.076825091014111,10.17188/1188079,"@misc{osti_1188079,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TiTc (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1188079"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686510'}},0.0,7.14686969,520.0,-19.24926416,-9.62463208,{'tags': ['Technetium titanium (1/1)']},-19.24926416,-9.62463208,-0.4965761166666667,"['xas', 'elasticity', 'bandstructure']",True,"[653020, 106142]",True,2021-05-12 10:56:12.755000,NM,2,12,mp-11573,,TiTc,"{'functional': 'PBE', 'labels': ['Ti_pv', 'Tc_pv'], 'pot_type': 'paw'}","{'Ti': 1.0, 'Tc': 1.0}",GGA,mp-11573,"['mp-991561', 'mp-993506', 'mp-11573', 'mp-1058102', 'mp-1058116', 'mp-1058085', 'mp-1440331', 'mp-1686510', 'mp-1783467', 'mp-994811', 'mp-1594310', 'mp-1058112']",0.0005538,"{'Ti': 1.0, 'Tc': 1.0}",29.98924073485536,[],NM,False,221,0,"[0, 0]",1.8466622909740403e-05,0.0005538,0,0.0005538,MP,data/source/MP/cleaned/cifs/MP-mp-11573.cif,False,,data/final/MP/graphs/Tc0.5Ti0.5-MP-mp-11573.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Y1Zn1,1,0.0,1.0,True,Y1Zn1,Y1Zn1,0.0,Other,True,Y50Zn50,Y-Zn,2,Supercon,Y1Zn1,MP-mp-2516,Y1Zn1,Y-Zn,Y50Zn50,P m -3 m,cubic,3.585441,3.585441,3.585441,data/final/MP/cifs/Y1Zn1-MP-mp-2516.cif,data/source/MP/raw/cifs/mp-2516.cif,mp-2516,0.0,,2011-05-12 19:20:20,5.559414779735473,10.17188/1200539,"@misc{osti_1200539,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YZn (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200539"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668721'}},0.0,3.14492684,520.0,-8.45970273,-4.229851365,{'tags': ['Yttrium zinc (1/1)']},-8.45970273,-4.229851365,-0.3667440033333333,"['eos', 'elasticity', 'bandstructure', 'xas']",True,"[653454, 653468, 653455, 106226, 653460, 653464]",True,2021-05-12 10:56:16.728000,NM,2,10,mp-2516,,YZn,"{'functional': 'PBE', 'labels': ['Y_sv', 'Zn'], 'pot_type': 'paw'}","{'Y': 1.0, 'Zn': 1.0}",GGA,mp-2516,"['mp-1008380', 'mp-1002002', 'mp-2516', 'mp-1140825', 'mp-1442025', 'mp-1668721', 'mp-1794042', 'mp-1012660', 'mp-1589967', 'mp-1590690']",0.0545209,"{'Y': 1.0, 'Zn': 1.0}",46.09223221040392,[],NM,False,221,0,"[0, 0]",0.0011828652548464,0.0545209,0,0.0545209,MP,data/source/MP/cleaned/cifs/MP-mp-2516.cif,False,,data/final/MP/graphs/Y1Zn1-MP-mp-2516.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Be12Co1,1,0.0,1.0,True,Be12Co1,Be12Co1,0.0,Other,True,Be92.308Co7.692,Be-Co,2,Supercon,Be12Co1,MP-mp-1104193,Be12Co1,Be-Co,Be92.308Co7.692,I 4/m m m,tetragonal,4.090002003830263,5.469221489411738,5.46922149,data/final/MP/cifs/Be12Co1-MP-mp-1104193.cif,data/source/MP/raw/cifs/mp-1104193.cif,mp-1104193,0.0,,2018-07-18 21:26:12,2.636347525115103,,,{'GGA': {'task_id': 'mp-1703647'}},0.0475523319230761,4.80896381,520.0,-52.51423014,-4.039556164615385,"{'tags': ['Beryllium cobalt (12/1)', 'ThMn12', 'CaCu5-Zr4Al3 intergrowth', 'Be12Co']}",-52.51423014,-4.039556164615385,-0.0409967665384621,['bandstructure'],True,[616202],True,2021-05-12 10:58:20.361000,NM,13,5,mp-1104193,,Be12Co,"{'functional': 'PBE', 'labels': ['Be_sv', 'Co'], 'pot_type': 'paw'}","{'Be': 12.0, 'Co': 1.0}",GGA,mp-1104193,"['mp-1104193', 'mp-1429743', 'mp-1703647', 'mp-1796706', 'mp-1601190']",0.0051709,"{'Be': 12.0, 'Co': 1.0}",105.23720162449162,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0]",4.9135666096964976e-05,0.0051709,0,0.0051709,MP,data/source/MP/cleaned/cifs/MP-mp-1104193.cif,False,,data/final/MP/graphs/Be12Co1-MP-mp-1104193.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Rb0.25W1O3,1,0.0,12.0,False,Rb3W12O36,Rb3W12O36,0.0,Oxide,True,Rb5.882W23.529O70.58823529411765,Rb-W-O,3,Supercon,Rb0.25W1O3,MP-mp-1219848,Rb3W12O36,Rb-W-O,Rb5.882W23.529O70.58823529411764,I m m m,orthorhombic,7.522950001640271,10.79570004,10.79570004015804,data/final/MP/cifs/Rb0.25W1O3-MP-mp-1219848-synth_doped.cif,data/source/MP/raw/cifs/mp-1219848.cif,mp-1219848,0.0,,2019-01-12 20:47:20.548000,6.648027580894086,,,,0.00196214000003,2.57733901,520.0,-372.51100959,-7.304137442941177,{'tags': []},-372.51100959,-7.304137442941177,-2.233986148088236,[],False,[],True,2021-05-12 11:00:44.908000,FM,51,3,mp-1219848,oxide,Rb(WO3)4,"{'functional': 'PBE', 'labels': ['Rb_sv', 'W_pv', 'O'], 'pot_type': 'paw'}","{'Rb': 1.0, 'W': 4.0, 'O': 12.0}",GGA+U,mp-1219848,"['mp-1219848', 'mp-1351427', 'mp-1885822']",0.9937897333333332,"{'Rb': 3.0, 'W': 12.0, 'O': 36.0}",758.9445831681093,[],FM,True,71,3,"[0.0, 0.0, 0.0, 0.4, 0.3, 0.3, 0.3, 0.3, 0.3, 0.4, 0.3, 0.3, 0.3, 0.3, 0.3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0039283094788748,0.9937897333333332,12,2.9813692,MP,data/source/MP/cleaned/cifs/MP-mp-1219848.cif,True,,data/final/MP/graphs/Rb0.25W1O3-MP-mp-1219848-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,1.0,False
Ce0.1Cu1Nd1.9O4,2,0.0285714285714285,1.0,True,Ce0.1Cu1Nd1.9O4,Cu1Nd2O4,0.0,Cuprate,True,Ce1.429Cu14.286Nd27.143O57.142857142857146,Ce-Cu-Nd-O,4,Supercon,Nd1.9Ce0.1Cu1O4,MP-mp-4158,Nd2Cu1O4,Cu-Nd-O,Cu14.286Nd28.571O57.142857142857146,I 4/m m m,tetragonal,3.973854000245551,3.973854000245551,6.78296857,data/final/MP/cifs/Ce0.1Cu1Nd1.9O4-MP-mp-4158-synth_doped.cif,data/source/MP/raw/cifs/mp-4158.cif,mp-4158,0.0,,2011-05-13 10:19:33,7.086167303782593,10.17188/1207899,"@misc{osti_1207899,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nd2CuO4 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207899"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-670050'}},0.0009497997619085,3.16510927,520.0,-51.48091453,-7.354416361428571,"{'tags': ['Dineodymium copper tetraoxide', 'Dineodymium copper oxide', 'Dineodymium cuprate', 'High pressure experimental phase']}",-51.48091453,-7.354416361428571,-2.971653917142857,"['xas', 'elasticity', 'bandstructure']",True,"[261376, 203228, 160629, 261375, 69479, 186590, 4203, 75830, 75825, 202885, 203229, 71181, 82067, 75828, 69886, 75826, 75829, 75824, 75827, 69482, 86752]",True,2021-05-12 10:56:20.740000,NM,7,11,mp-4158,oxide,Nd2CuO4,"{'functional': 'PBE', 'labels': ['Nd_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Nd': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-4158,"['mp-670050', 'mp-660368', 'mp-4158', 'mp-1078016', 'mp-1173374', 'mp-1440751', 'mp-1668619', 'mp-1797319', 'mp-1588086', 'mp-1590518', 'mp-688505']",0.0084899,"{'Nd': 2.0, 'Cu': 1.0, 'O': 4.0}",97.4899480873212,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",8.708487558528232e-05,0.0084899,0,0.0084899,MP,data/source/MP/cleaned/cifs/MP-mp-4158.cif,True,,data/final/MP/graphs/Ce0.1Cu1Nd1.9O4-MP-mp-4158-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B6Eu1,1,0.0,1.0,True,B6Eu1,B6Eu1,0.0,Other,True,B85.714Eu14.286,B-Eu,2,Supercon,B6Eu1,MP-mp-20874,Eu1B6,B-Eu,B85.714Eu14.286,P m -3 m,cubic,4.170498,4.170498,4.170498,data/final/MP/cifs/B6Eu1-MP-mp-20874.cif,data/source/MP/raw/cifs/mp-20874.cif,mp-20874,0.0,,2014-02-21 07:38:47,4.963690743398176,10.17188/1196070,"@misc{osti_1196070,
    author = ""Persson, Kristin"",
    title = ""Materials Data on EuB6 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196070"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686696'}},0.0,5.71572907,520.0,-53.6677625,-7.666823214285714,"{'tags': ['Europium hexaboride', 'Europium boride (1/6)', 'Europium octahedro-hexaboride']}",-53.6677625,-7.666823214285714,-0.4713383428571426,"['xas', 'elasticity', 'bandstructure']",True,"[196528, 613832, 613828, 602749, 613834, 613840, 613842, 613838, 613846, 86268, 613844, 613830, 613836]",True,2021-05-12 10:56:14.760000,FM,7,8,mp-20874,,EuB6,"{'functional': 'PBE', 'labels': ['Eu', 'B'], 'pot_type': 'paw'}","{'Eu': 1.0, 'B': 6.0}",GGA,mp-20874,"['mp-20874', 'mp-1077914', 'mp-1442343', 'mp-1686696', 'mp-1773040', 'mp-1798781', 'mp-1592363', 'mp-1593404']",6.9673196,"{'Eu': 1.0, 'B': 6.0}",72.53769511925357,[],FM,True,221,1,"[6.8, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0960510199358495,6.9673196,1,6.9673196,MP,data/source/MP/cleaned/cifs/MP-mp-20874.cif,False,,data/final/MP/graphs/B6Eu1-MP-mp-20874.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ag0.6Al0.4,3,0.1333333333333333,6.0,False,Ag3.6Al2.4,Ag4Al2,0.088,Other,True,Ag60Al40,Ag-Al,2,Supercon,Ag0.6Al0.4,MP-mp-985805,Al2Ag4,Ag-Al,Ag66.667Al33.333,C m c m,orthorhombic,4.569113,5.097394001168852,5.10979643,data/final/MP/cifs/Ag0.6Al0.4-MP-mp-985805-synth_doped.cif,data/source/MP/raw/cifs/mp-985805.cif,mp-985805,0.0,,2017-11-17 15:09:37,7.814765925012479,10.17188/1316751,"@misc{osti_1316751,
    author = ""Persson, Kristin"",
    title = ""Materials Data on AlAg2 (SG:63) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1316751"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1760271'}},0.0,5.04571075,520.0,-19.27423641,-3.212372735,{'tags': []},-19.27423641,-3.212372735,-0.0754767894444441,"['xas', 'elasticity', 'bandstructure']",True,[],True,2021-05-12 10:56:37.246000,NM,6,9,mp-985805,,AlAg2,"{'functional': 'PBE', 'labels': ['Al', 'Ag'], 'pot_type': 'paw'}","{'Al': 1.0, 'Ag': 2.0}",GGA,mp-985805,"['mp-1040769', 'mp-1040772', 'mp-985805', 'mp-1256890', 'mp-1398492', 'mp-1760271', 'mp-1928111', 'mp-1627544', 'mp-1040771']",1.33e-05,"{'Al': 2.0, 'Ag': 4.0}",103.14899334858234,[],NM,False,63,0,"[0, 0, 0, 0, 0, 0]",2.578793950039609e-07,1.33e-05,0,2.66e-05,MP,data/source/MP/cleaned/cifs/MP-mp-985805.cif,True,,data/final/MP/graphs/Ag0.6Al0.4-MP-mp-985805-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Al3La0.15Pd2U0.85,2,0.05,1.0,True,Al3La0.15Pd2U0.85,Al3Pd2U1,1.2,Heavy_fermion,True,Al50La2.5Pd33.333U14.167,Al-La-Pd-U,4,Supercon,U0.85La0.15Pd2Al3,MP-mp-4561,U1Al3Pd2,Al-Pd-U,Al50Pd33.333U16.667,P 6/m m m,hexagonal,4.239652,5.384229999094356,5.3842309,data/final/MP/cifs/Al3La0.15Pd2U0.85-MP-mp-4561-synth_doped.cif,data/source/MP/raw/cifs/mp-4561.cif,mp-4561,0.0,,2011-05-12 23:59:10,8.296603403902926,10.17188/1208253,"@misc{osti_1208253,
    author = ""Persson, Kristin"",
    title = ""Materials Data on UAl3Pd2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208253"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700804'}},0.0796314472916668,8.0468212,520.0,-36.36476907,-6.060794845,"{'tags': ['Aluminium palladium uranium (3/2/1)', 'Aluminum palladium uranium (3/2/1)']}",-36.36476907,-6.060794845,-0.5794779916666665,"['xas', 'elasticity', 'bandstructure']",True,"[657574, 106242, 659234]",True,2021-05-12 10:56:20.740000,FM,6,9,mp-4561,,UAl3Pd2,"{'functional': 'PBE', 'labels': ['U', 'Al', 'Pd'], 'pot_type': 'paw'}","{'U': 1.0, 'Al': 3.0, 'Pd': 2.0}",GGA,mp-4561,"['mp-4561', 'mp-991619', 'mp-993538', 'mp-1251974', 'mp-1441898', 'mp-1700804', 'mp-1933710', 'mp-994863', 'mp-1593816']",2.2050571,"{'U': 1.0, 'Al': 3.0, 'Pd': 2.0}",106.4408038742404,[],FM,True,191,1,"[2.2, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0207162762750765,2.2050571,1,2.2050571,MP,data/source/MP/cleaned/cifs/MP-mp-4561.cif,True,,data/final/MP/graphs/Al3La0.15Pd2U0.85-MP-mp-4561-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ba0.9K0.1Pb1O3,2,0.0399999999999999,2.0,False,Ba1.8K0.2Pb2O6,Ba2Pb2O6,30.0,Oxide,True,Ba18K2Pb20O60,Ba-K-Pb-O,4,Supercon,Ba0.9K0.1Pb1O3,MP-mp-22230,Ba2Pb2O6,Ba-Pb-O,Ba20Pb20O60,I m m a,orthorhombic,6.133862002250079,6.155866510000001,6.155866509646406,data/final/MP/cifs/Ba0.9K0.1Pb1O3-MP-mp-22230-synth_doped.cif,data/source/MP/raw/cifs/mp-22230.cif,mp-22230,0.2093999999999996,,2014-02-21 02:34:22,7.878976238337828,10.17188/1197446,"@misc{osti_1197446,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BaPbO3 (SG:74) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197446"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677620'}},0.0,2.99294363,520.0,-57.91751158,-5.791751158,"{'tags': ['Barium plumbate(IV)', 'Barium lead oxide', 'Barium plumbate', 'Barium lead(IV) oxide']}",-57.91751158,-5.791751158,-2.1088509750000006,"['xas', 'bandstructure']",True,"[252031, 94313, 154038, 245600, 51657, 94312, 245601, 78681, 154039, 15933, 67811, 245602]",True,2021-05-12 10:56:59.077000,NM,10,7,mp-22230,oxide,BaPbO3,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pb_d', 'O'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Pb': 1.0, 'O': 3.0}",GGA,mp-22230,"['mp-547522', 'mp-22230', 'mp-1078282', 'mp-1437547', 'mp-1677620', 'mp-1828697', 'mp-1589590']",5.66e-05,"{'Ba': 2.0, 'Pb': 2.0, 'O': 6.0}",165.45383803885784,[],NM,False,74,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.841787494431788e-07,5.66e-05,0,0.0001132,MP,data/source/MP/cleaned/cifs/MP-mp-22230.cif,True,,data/final/MP/graphs/Ba0.9K0.1Pb1O3-MP-mp-22230-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,0.5,False
Al2La1,1,0.0,2.0,False,Al4La2,Al4La2,2.7242142855,Other,True,Al66.667La33.333,Al-La,2,Supercon,La1Al2,MP-mp-2694,La2Al4,Al-La,Al66.667La33.333,F d -3 m,cubic,5.75810346,5.75810346,5.75810346,data/final/MP/cifs/Al2La1-MP-mp-2694.cif,data/source/MP/raw/cifs/mp-2694.cif,mp-2694,0.0,,2011-05-12 21:07:48,4.744791242841679,10.17188/1201263,"@misc{osti_1201263,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaAl2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201263"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686658'}},0.0,8.10972418,520.0,-27.8605497,-4.64342495,{'tags': ['Aluminium lanthanum (2/1)']},-27.8605497,-4.64342495,-0.5010386950000001,"['xas', 'elasticity', 'bandstructure']",True,"[608275, 608277, 608265, 608290, 608288, 57933, 608270, 608269, 603920, 608272, 608286, 608273, 608289, 604450, 608266]",True,2021-05-12 10:56:18.721000,NM,6,10,mp-2694,,LaAl2,"{'functional': 'PBE', 'labels': ['La', 'Al'], 'pot_type': 'paw'}","{'La': 1.0, 'Al': 2.0}",GGA,mp-2694,"['mp-940230', 'mp-925817', 'mp-940644', 'mp-2694', 'mp-1258643', 'mp-1440554', 'mp-1686658', 'mp-1787219', 'mp-1596037', 'mp-1594760']",0.0008869,"{'La': 2.0, 'Al': 4.0}",134.99677475891534,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",1.3139573172527638e-05,0.0008869,0,0.0017738,MP,data/source/MP/cleaned/cifs/MP-mp-2694.cif,False,,data/final/MP/graphs/Al2La1-MP-mp-2694.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ga0.9Si1.1Sr1,3,0.0666666666666667,1.0,True,Ga0.9Si1.1Sr1,Ga1Si1Sr1,4.73,Other,True,Ga30Si36.667Sr33.333,Ga-Si-Sr,3,Supercon,Sr1Ga0.9Si1.1,MP-mp-1218262,Sr1Ga1Si1,Ga-Si-Sr,Ga33.333Si33.333Sr33.333,P -6 m 2,hexagonal,4.2209479997069455,4.220947830000001,4.723355,data/final/MP/cifs/Ga0.9Si1.1Sr1-MP-mp-1218262-synth_doped.cif,data/source/MP/raw/cifs/mp-1218262.cif,mp-1218262,0.0,,2019-01-12 19:27:35.341000,4.224977327446255,,,{'GGA': {'task_id': 'mp-1767455'}},0.0,4.14906217,520.0,-11.52735393,-3.84245131,{'tags': []},-11.52735393,-3.84245131,-0.4378168113888889,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,3,5,mp-1218262,,SrGaSi,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ga_d', 'Si'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Ga': 1.0, 'Si': 1.0}",GGA,mp-1218262,"['mp-1218262', 'mp-1432931', 'mp-1767455', 'mp-1801429', 'mp-1611910']",0.0052074,"{'Sr': 1.0, 'Ga': 1.0, 'Si': 1.0}",72.87879778923026,[],NM,False,187,0,"[0, 0, 0]",7.14528800963499e-05,0.0052074,0,0.0052074,MP,data/source/MP/cleaned/cifs/MP-mp-1218262.cif,True,,data/final/MP/graphs/Ga0.9Si1.1Sr1-MP-mp-1218262-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Ge2Rh2Sr1,1,0.0,1.0,True,Ge2Rh2Sr1,Ge2Rh2Sr1,0.0,Other,True,Ge40Rh40Sr20,Ge-Rh-Sr,3,Supercon,Sr1Rh2Ge2,MP-mp-10697,Sr1Ge2Rh2,Ge-Rh-Sr,Ge40Rh40Sr20,I 4/m m m,tetragonal,4.232090002420914,4.2320900024209145,6.23684018,data/final/MP/cifs/Ge2Rh2Sr1-MP-mp-10697.cif,data/source/MP/raw/cifs/mp-10697.cif,mp-10697,0.0,,2011-05-28 18:53:29,7.433118021875065,10.17188/1187298,"@misc{osti_1187298,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(GeRh)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187298"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697489'}},0.0,4.58533819,520.0,-29.58330369,-5.916660738,{'tags': ['Strontium dirhodium germanide']},-29.58330369,-5.916660738,-0.7838277573333329,"['xas', 'elasticity', 'bandstructure']",True,[77145],True,2021-05-12 10:56:10.715000,NM,5,5,mp-10697,,Sr(GeRh)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ge_d', 'Rh_pv'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Ge': 2.0, 'Rh': 2.0}",GGA,mp-10697,"['mp-10697', 'mp-1420804', 'mp-1697489', 'mp-1873991', 'mp-1588726']",4.52e-05,"{'Sr': 1.0, 'Ge': 2.0, 'Rh': 2.0}",98.00688651831511,[],NM,False,139,0,"[0, 0, 0, 0, 0]",4.6119208155391417e-07,4.52e-05,0,4.52e-05,MP,data/source/MP/cleaned/cifs/MP-mp-10697.cif,False,,data/final/MP/graphs/Ge2Rh2Sr1-MP-mp-10697.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Hg3Li1,1,0.0,2.0,False,Hg6Li2,Hg6Li2,1.7,Other,True,Hg75Li25,Hg-Li,2,Supercon,Hg3Li1,MP-mp-1079267,Li2Hg6,Hg-Li,Hg75Li25,P 63/m m c,hexagonal,5.251122,6.38906200279553,6.38906287,data/final/MP/cifs/Hg3Li1-MP-mp-1079267.cif,data/source/MP/raw/cifs/mp-1079267.cif,mp-1079267,0.0,,2018-04-14 13:06:16,10.89013388745539,,,{'GGA': {'task_id': 'mp-1701203'}},0.0072776474999999,2.13248783,520.0,-7.07692322,-0.8846154025,{'tags': ['Mercury lithium (3/1)']},-7.07692322,-0.8846154025,-0.1796244120833333,[],False,[639074],True,2021-05-12 10:59:20.443000,NM,8,4,mp-1079267,,LiHg3,"{'functional': 'PBE', 'labels': ['Li_sv', 'Hg'], 'pot_type': 'paw'}","{'Li': 1.0, 'Hg': 3.0}",GGA,mp-1079267,"['mp-1079267', 'mp-1416099', 'mp-1701203', 'mp-1786735']",0.01133675,"{'Li': 2.0, 'Hg': 6.0}",185.6337867312181,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0001221410196885,0.01133675,0,0.0226735,MP,data/source/MP/cleaned/cifs/MP-mp-1079267.cif,False,,data/final/MP/graphs/Hg3Li1-MP-mp-1079267.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Hg3K1,1,0.0,2.0,False,Hg6K2,Hg6K2,3.18,Other,True,Hg75K25,Hg-K,2,Supercon,Hg3K1,MP-mp-1185099,K2Hg6,Hg-K,Hg75K25,P 63/m m c,hexagonal,5.768071,7.150523996118839,7.150523620000001,data/final/MP/cifs/Hg3K1-MP-mp-1185099.cif,data/source/MP/raw/cifs/mp-1185099.cif,mp-1185099,0.0,,2019-01-11 13:17:56.630000,8.333183536537417,,,{'GGA': {'task_id': 'mp-1730221'}},0.0112220466666665,1.5500333,520.0,-5.80245667,-0.72530708375,{'tags': []},-5.80245667,-0.72530708375,-0.2199470732499999,[],False,[],True,2021-05-12 10:59:50.205000,NM,8,4,mp-1185099,,KHg3,"{'functional': 'PBE', 'labels': ['K_sv', 'Hg'], 'pot_type': 'paw'}","{'K': 1.0, 'Hg': 3.0}",GGA,mp-1185099,"['mp-1185099', 'mp-1385779', 'mp-1730221', 'mp-1875946']",0.00067555,"{'K': 2.0, 'Hg': 6.0}",255.40943482872493,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",5.289937706905911e-06,0.00067555,0,0.0013511,MP,data/source/MP/cleaned/cifs/MP-mp-1185099.cif,False,,data/final/MP/graphs/Hg3K1-MP-mp-1185099.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Cu1La1.855Sr0.145O4,2,0.0414285714285714,1.0,True,Cu1La1.855Sr0.145O4,Cu1La2O4,33.55,Cuprate,True,Cu14.286La26.5Sr2.071O57.142857142857146,Cu-La-Sr-O,4,Supercon,La1.855Sr0.145Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La1.855Sr0.145O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La1.855Sr0.145O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2C1Ni2Th1,1,0.0,1.0,True,B2C1Ni2Th1,B2C1Ni2Th1,6.966666667,Other,True,B33.333C16.667Ni33.333Th16.667,B-C-Ni-Th,4,Supercon,Th1Ni2B2C1,MP-mp-1025034,Th1Ni2B2C1,B-C-Ni-Th,B33.333C16.667Ni33.333Th16.667,I 4/m m m,tetragonal,3.68968799971142,3.68968799971142,5.70799467,data/final/MP/cifs/B2C1Ni2Th1-MP-mp-1025034.cif,data/source/MP/raw/cifs/mp-1025034.cif,mp-1025034,0.0,,2016-09-27 06:46:04,9.20323202663418,10.17188/1355197,"@article{osti_1355197,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ThNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1355197"",
    place = ""United States"",
    year = ""2017"",
    month = ""5""
}
",{'GGA': {'task_id': 'mp-1673246'}},0.0,8.37653488,520.0,-44.52166692,-7.42027782,"{'tags': ['ThNi2B2C', 'LuNi2B2C']}",-44.52166692,-7.42027782,-0.4936618447222223,['bandstructure'],True,[659009],True,2021-05-12 10:58:09.072000,NM,6,6,mp-1025034,,ThNi2B2C,"{'functional': 'PBE', 'labels': ['Th', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Th': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-1025034,"['mp-1025034', 'mp-1077456', 'mp-1300834', 'mp-1673246', 'mp-1801432', 'mp-1587312']",4.21e-05,"{'Th': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",69.1150718894895,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",6.091290777692477e-07,4.21e-05,0,4.21e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1025034.cif,False,,data/final/MP/graphs/B2C1Ni2Th1-MP-mp-1025034.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Be22Os0.05Re0.95,2,0.0043478260869565,2.0,False,Be44Os0.1Re1.9,Be44Re2,9.2,Other,True,Be95.652Os0.217Re4.13,Be-Os-Re,3,Supercon,Be22Re0.95Os0.05,MP-mp-569364,Be44Re2,Be-Re,Be95.652Re4.348,F d -3 m,cubic,8.13033498,8.13033498,8.13033498,data/final/MP/cifs/Be22Os0.05Re0.95-MP-mp-569364-synth_doped.cif,data/source/MP/raw/cifs/mp-569364.cif,mp-569364,0.0,,2014-02-18 16:00:38,3.359981469520108,10.17188/1275060,"@misc{osti_1275060,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Be22Re (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1275060"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1729467'}},0.0,5.02493221,520.0,-192.40958206,-4.182817001304348,"{'tags': ['Rhenium beryllium (1/22)', 'Beryllium rhenium (22/1)']}",-192.40958206,-4.182817001304348,-0.0649209050000001,"['xas', 'elasticity', 'bandstructure']",True,"[150540, 616399]",True,2021-05-12 10:56:22.739000,NM,46,7,mp-569364,,Be22Re,"{'functional': 'PBE', 'labels': ['Be_sv', 'Re_pv'], 'pot_type': 'paw'}","{'Be': 22.0, 'Re': 1.0}",GGA,mp-569364,"['mp-914535', 'mp-1001401', 'mp-569364', 'mp-1384180', 'mp-1729467', 'mp-1836331', 'mp-1007840']",9.15e-05,"{'Be': 44.0, 'Re': 2.0}",380.0233840958512,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.815493142228399e-07,9.15e-05,0,0.000183,MP,data/source/MP/cleaned/cifs/MP-mp-569364.cif,True,,data/final/MP/graphs/Be22Os0.05Re0.95-MP-mp-569364-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Gd0.04Ru2Y0.96,2,0.0266666666666666,4.0,False,Gd0.16Ru8Y3.84,Ru8Y4,3.5,Other,True,Gd1.333Ru66.667Y32,Gd-Ru-Y,3,Supercon,Y0.96Gd0.04Ru2,MP-mp-568186,Y4Ru8,Ru-Y,Ru66.667Y33.333,P 63/m m c,hexagonal,5.276516003067581,5.27651609,8.969022,data/final/MP/cifs/Gd0.04Ru2Y0.96-MP-mp-568186-synth_doped.cif,data/source/MP/raw/cifs/mp-568186.cif,mp-568186,0.0,,2014-02-24 13:08:31,8.939232862246756,10.17188/1272553,"@misc{osti_1272553,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YRu2 (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1272553"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697189'}},0.0,5.96303687,520.0,-103.83404772,-8.65283731,"{'tags': ['Yttrium ruthenium (1/2)', 'Ruthenium yttrium (2/1)']}",-103.83404772,-8.65283731,-0.3144205022222219,"['xas', 'elasticity', 'bandstructure']",True,"[150516, 650775, 650778]",True,2021-05-12 10:56:22.739000,NM,12,10,mp-568186,,YRu2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ru_pv'], 'pot_type': 'paw'}","{'Y': 1.0, 'Ru': 2.0}",GGA,mp-568186,"['mp-1001392', 'mp-914500', 'mp-568186', 'mp-1102880', 'mp-1103240', 'mp-1432386', 'mp-1697189', 'mp-1829069', 'mp-1007832', 'mp-1599952']",0.006526575,"{'Y': 4.0, 'Ru': 8.0}",216.25703750839943,[],NM,False,194,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001207188459658,0.006526575,0,0.0261063,MP,data/source/MP/cleaned/cifs/MP-mp-568186.cif,True,,data/final/MP/graphs/Gd0.04Ru2Y0.96-MP-mp-568186-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
La3Sn7,1,0.0,1.0,True,La3Sn7,La3Sn7,0.0,Other,True,La30Sn70,La-Sn,2,Supercon,La3Sn7,MP-mp-1079273,La3Sn7,La-Sn,La30Sn70,C m m m,orthorhombic,4.631618000574003,4.732606,13.29850246,data/final/MP/cifs/La3Sn7-MP-mp-1079273.cif,data/source/MP/raw/cifs/mp-1079273.cif,mp-1079273,0.0,,2018-04-14 13:31:37,7.217812715868563,,,{'GGA': {'task_id': 'mp-1695805'}},0.0,8.32276312,520.0,-49.38414692,-4.938414692,"{'tags': ['Lanthanum stannide (3/7)', 'close-packed structure', 'Gd3Sn7', 'La3Sn7']}",-49.38414692,-4.938414692,-0.650912262,['bandstructure'],True,[261872],True,2021-05-12 10:58:16.596000,NM,10,5,mp-1079273,,La3Sn7,"{'functional': 'PBE', 'labels': ['La', 'Sn_d'], 'pot_type': 'paw'}","{'La': 3.0, 'Sn': 7.0}",GGA,mp-1079273,"['mp-1079273', 'mp-1414920', 'mp-1695805', 'mp-1860927', 'mp-1598818']",0.0109905,"{'La': 3.0, 'Sn': 7.0}",287.0443038949908,[],NM,False,65,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.828851452847728e-05,0.0109905,0,0.0109905,MP,data/source/MP/cleaned/cifs/MP-mp-1079273.cif,False,,data/final/MP/graphs/La3Sn7-MP-mp-1079273.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Co1Ta2,1,0.0,2.0,False,Co2Ta4,Co2Ta4,0.82,Other,True,Co33.333Ta66.667,Co-Ta,2,Supercon,Co1Ta2,MP-mp-574,Ta4Co2,Co-Ta,Co33.333Ta66.667,I 4/m c m,tetragonal,4.982370002090573,4.999258869801285,4.999258870000001,data/final/MP/cifs/Co1Ta2-MP-mp-574.cif,data/source/MP/raw/cifs/mp-574.cif,mp-574,0.0,,2011-05-13 09:57:43,14.931411131757956,10.17188/1276540,"@misc{osti_1276540,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ta2Co (SG:140) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276540"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696045'}},0.0,5.6994816,520.0,-63.14331504,-10.52388584,{'tags': ['Cobalt tantalum (1/2)']},-63.14331504,-10.52388584,-0.2492614883333329,"['xas', 'elasticity', 'bandstructure']",True,"[102815, 625322, 625339, 625336]",True,2021-05-12 10:56:27.046000,NM,6,9,mp-574,,Ta2Co,"{'functional': 'PBE', 'labels': ['Ta_pv', 'Co'], 'pot_type': 'paw'}","{'Ta': 2.0, 'Co': 1.0}",GGA,mp-574,"['mp-912343', 'mp-574', 'mp-928360', 'mp-928870', 'mp-1076968', 'mp-1441476', 'mp-1696045', 'mp-1798101', 'mp-1589166']",0.00060335,"{'Ta': 4.0, 'Co': 2.0}",93.60172511058296,[],NM,False,140,0,"[0, 0, 0, 0, 0, 0]",1.289185641156058e-05,0.00060335,0,0.0012067,MP,data/source/MP/cleaned/cifs/MP-mp-574.cif,False,,data/final/MP/graphs/Co1Ta2-MP-mp-574.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B4C1,1,0.0,3.0,False,B12C3,B12C3,0.0,Other,True,B80C20,B-C,2,Supercon,B4C1,MP-mp-696746,B12C3,B-C,B80C20,R -3 m,trigonal,5.18446625,5.18446625,5.1844665,data/final/MP/cifs/B4C1-MP-mp-696746.cif,data/source/MP/raw/cifs/mp-696746.cif,mp-696746,1.6401000000000003,,2014-05-03 02:53:41,2.4732716515211286,10.17188/1285041,"@misc{osti_1285041,
    author = ""Persson, Kristin"",
    title = ""Materials Data on B4C (SG:166) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1285041"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703247'}},0.071336736000001,4.9295182,520.0,-108.27382003,-7.218254668666666,"{'tags': ['Boron(I) carbide', 'Boron carbide (12/3)', 'Boron carbide (4/1)']}",-108.27382003,-7.218254668666666,-0.0293851119999989,"['xas', 'elasticity', 'bandstructure']",True,"[654971, 29093, 612562]",True,2021-05-12 10:56:29.056000,NM,15,8,mp-696746,,B4C,"{'functional': 'PBE', 'labels': ['B', 'C'], 'pot_type': 'paw'}","{'B': 4.0, 'C': 1.0}",GGA,mp-696746,"['mp-998583', 'mp-999776', 'mp-696746', 'mp-1419242', 'mp-1703247', 'mp-1805297', 'mp-1006847', 'mp-1609151']",0.0001963333333333,"{'B': 12.0, 'C': 3.0}",111.2929765400004,[],NM,False,166,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.292337560837044e-06,0.0001963333333333,0,0.000589,MP,data/source/MP/cleaned/cifs/MP-mp-696746.cif,False,,data/final/MP/graphs/B4C1-MP-mp-696746.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Ga0.4Nb3Sn0.6,2,0.0499999999999999,2.0,False,Ga0.8Nb6Sn1.2,Ga1Nb6Sn1,16.0,Other,True,Ga10Nb75Sn15,Ga-Nb-Sn,3,Supercon,Nb3Sn0.6Ga0.4,MP-mp-1220342,Nb6Ga1Sn1,Ga-Nb-Sn,Ga12.5Nb75Sn12.5,P m -3,cubic,5.267319,5.267319,5.267319,data/final/MP/cifs/Ga0.4Nb3Sn0.6-MP-mp-1220342-synth_doped.cif,data/source/MP/raw/cifs/mp-1220342.cif,mp-1220342,0.0,,2019-01-12 21:12:16.669000,8.475086109299342,,,{'GGA': {'task_id': 'mp-1733533'}},0.0480318309375,5.78514107,520.0,-68.8247362,-8.603092025,{'tags': []},-68.8247362,-8.603092025,-0.1474047603125008,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,8,5,mp-1220342,,Nb6GaSn,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Ga_d', 'Sn_d'], 'pot_type': 'paw'}","{'Nb': 6.0, 'Ga': 1.0, 'Sn': 1.0}",GGA,mp-1220342,"['mp-1220342', 'mp-1392260', 'mp-1733533', 'mp-1929075', 'mp-1619541']",0.5383733,"{'Nb': 6.0, 'Ga': 1.0, 'Sn': 1.0}",146.13991918453098,[],NM,False,200,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0036839578330421,0.5383733,0,0.5383733,MP,data/source/MP/cleaned/cifs/MP-mp-1220342.cif,True,,data/final/MP/graphs/Ga0.4Nb3Sn0.6-MP-mp-1220342-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,1,0,0,0,1.0,False
B2C1Dy0.85Ni2Y0.15,2,0.05,1.0,True,B2C1Dy0.85Ni2Y0.15,B2C1Dy1Ni2,4.3,Other,True,B33.333C16.667Dy14.167Ni33.333Y2.5,B-C-Dy-Ni-Y,5,Supercon,Y0.15Dy0.85Ni2B2C1,MP-mp-6223,Dy1Ni2B2C1,B-C-Dy-Ni,B33.333C16.667Dy16.667Ni33.333,I 4/m m m,tetragonal,3.5485979995620824,3.548597999562083,5.74460959,data/final/MP/cifs/B2C1Dy0.85Ni2Y0.15-MP-mp-6223-synth_doped.cif,data/source/MP/raw/cifs/mp-6223.cif,mp-6223,0.0,,2011-05-13 04:15:09,8.00036369104547,10.17188/1278123,"@misc{osti_1278123,
    author = ""Persson, Kristin"",
    title = ""Materials Data on DyNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278123"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687390'}},0.0,6.75219219,520.0,-41.84976027,-6.974960045,{'tags': []},-41.84976027,-6.974960045,-0.5161893047222215,"['xas', 'elasticity', 'bandstructure']",True,"[56596, 56593, 56595, 79573, 56649, 56594]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6223,,DyNi2B2C,"{'functional': 'PBE', 'labels': ['Dy_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Dy': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6223,"['mp-1007344', 'mp-1000899', 'mp-6223', 'mp-1439353', 'mp-1687390', 'mp-1795426', 'mp-1012086', 'mp-1593735']",0.004911,"{'Dy': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",65.07346390684725,[],NM,False,139,0,"[0.0, -0.0, -0.0, 0.0, 0.0, 0.0]",7.546855054512086e-05,0.004911,0,0.004911,MP,data/source/MP/cleaned/cifs/MP-mp-6223.cif,True,,data/final/MP/graphs/B2C1Dy0.85Ni2Y0.15-MP-mp-6223-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B3Br5C6La9,1,0.0,2.0,False,B6Br10C12La18,B6Br10C12La18,6.0,Other,True,B13.043Br21.739C26.087La39.13,B-Br-C-La,4,Supercon,La9Br5B3C6,MP-mp-624186,La18B6C12Br10,B-Br-C-La,B13.043Br21.739C26.087La39.13,P m m n,orthorhombic,3.889296,7.981511,33.321921,data/final/MP/cifs/B3Br5C6La9-MP-mp-624186.cif,data/source/MP/raw/cifs/mp-624186.cif,mp-624186,0.0,,2013-06-13 01:13:56,5.63201424719207,10.17188/1278238,"@misc{osti_1278238,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La9B3C6Br5 (SG:59) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278238"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-925408'}},0.0,7.48783425,520.0,-299.05808233,-6.501262659347826,{'tags': ['Lanthanum bromide carbide boride (9/5/6/3)']},-299.05808233,-6.501262659347826,-1.0518023149999984,"['xas', 'bandstructure']",True,[404168],True,2021-05-12 10:57:28.836000,NM,46,6,mp-624186,,La9B3C6Br5,"{'functional': 'PBE', 'labels': ['La', 'B', 'C', 'Br'], 'pot_type': 'paw'}","{'La': 9.0, 'B': 3.0, 'C': 6.0, 'Br': 5.0}",GGA,mp-624186,"['mp-624186', 'mp-926407', 'mp-925408', 'mp-909762', 'mp-1358438', 'mp-1848321']",0.1076586,"{'La': 18.0, 'B': 6.0, 'C': 12.0, 'Br': 10.0}",1034.3943599878169,[],NM,False,59,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0002081577474982,0.1076586,0,0.2153172,MP,data/source/MP/cleaned/cifs/MP-mp-624186.cif,False,,data/final/MP/graphs/B3Br5C6La9-MP-mp-624186.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Os2Rb1O6,1,0.0,2.0,False,Os4Rb2O12,Os4Rb2O12,6.318,Oxide,True,Os22.222Rb11.111O66.66666666666666,Os-Rb-O,3,Supercon,Rb1Os2O6,MP-mp-5050,Rb2Os4O12,Os-Rb-O,Os22.222Rb11.111O66.66666666666666,F d -3 m,cubic,7.242988100000001,7.242988099999999,7.242988099999999,data/final/MP/cifs/Os2Rb1O6-MP-mp-5050.cif,data/source/MP/raw/cifs/mp-5050.cif,mp-5050,0.0,,2011-05-16 01:16:01,6.945739839770686,10.17188/1262163,"@misc{osti_1262163,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Rb(OsO3)2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1262163"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700575'}},0.0,2.34712636,520.0,-127.92369931,-7.106872183888889,"{'tags': ['Rubidium osmo(V)osmate', 'Rubidium hexaoxodiosmate', 'Rubidium diosmiumm hexaoxide', 'Rubidium osmium(V/VI) hexaoxide']}",-127.92369931,-7.106872183888889,-1.662313004722222,"['xas', 'bandstructure']",True,"[157442, 157436, 157439, 161127, 157441, 157438, 157437, 173072, 173073, 157440, 157435, 246506]",True,2021-05-12 10:57:08.928000,NM,18,8,mp-5050,oxide,Rb(OsO3)2,"{'functional': 'PBE', 'labels': ['Rb_sv', 'Os_pv', 'O'], 'pot_type': 'paw'}","{'Rb': 1.0, 'Os': 2.0, 'O': 6.0}",GGA,mp-5050,"['mp-914140', 'mp-930842', 'mp-990768', 'mp-5050', 'mp-1430680', 'mp-1700575', 'mp-1924204', 'mp-1601784']",0.0006972,"{'Rb': 2.0, 'Os': 4.0, 'O': 12.0}",268.681841846457,[],NM,False,74,0,"[0.0, 0.0, -0.0, 0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",5.189781305715682e-06,0.0006972,0,0.0013944,MP,data/source/MP/cleaned/cifs/MP-mp-5050.cif,False,,data/final/MP/graphs/Os2Rb1O6-MP-mp-5050.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Pb3Y1,1,0.0,1.0,True,Pb3Y1,Pb3Y1,4.72,Other,True,Pb75Y25,Pb-Y,2,Supercon,Pb3Y1,MP-mp-20291,Y1Pb3,Pb-Y,Pb75Y25,P m -3 m,cubic,4.906019,4.906019,4.906019,data/final/MP/cifs/Pb3Y1-MP-mp-20291.cif,data/source/MP/raw/cifs/mp-20291.cif,mp-20291,0.0,,2014-02-21 08:52:53,9.991462854243553,10.17188/1195418,"@misc{osti_1195418,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YPb3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195418"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677732'}},0.0010727100000007,6.79352322,520.0,-18.78123768,-4.69530942,{'tags': ['Lead yttrium (3/1)']},-18.78123768,-4.69530942,-0.2942063391666663,"['xas', 'bandstructure']",True,"[105642, 105641, 648658]",True,2021-05-12 10:56:57.051000,NM,4,8,mp-20291,,YPb3,"{'functional': 'PBE', 'labels': ['Y_sv', 'Pb_d'], 'pot_type': 'paw'}","{'Y': 1.0, 'Pb': 3.0}",GGA,mp-20291,"['mp-1008090', 'mp-1001652', 'mp-20291', 'mp-1476152', 'mp-1677732', 'mp-1805438', 'mp-1012409', 'mp-1596380']",0.0008881,"{'Y': 1.0, 'Pb': 3.0}",118.0830813449652,[],NM,False,221,0,"[0, 0, 0, 0]",7.52097582383987e-06,0.0008881,0,0.0008881,MP,data/source/MP/cleaned/cifs/MP-mp-20291.cif,False,,data/final/MP/graphs/Pb3Y1-MP-mp-20291.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Rh2O3,3,0.1333333333333333,1.0,True,Rh2O3,Rh2O4,0.0,Oxide,True,Rh40O60,Rh-O,2,Supercon,O3Rh2,MP-mp-725,Rh2O4,Rh-O,Rh33.333O66.66666666666667,P 42/m n m,tetragonal,3.132044,4.557596,4.557596,data/final/MP/cifs/Rh2O3-MP-mp-725-synth_doped.cif,data/source/MP/raw/cifs/mp-725.cif,mp-725,0.0,,2011-05-13 05:04:37,6.886608286263032,10.17188/1272735,"@misc{osti_1272735,
    author = ""Persson, Kristin"",
    title = ""Materials Data on RhO2 (SG:136) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1272735"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702748'}},0.0,3.98025952,520.0,-39.08618813,-6.514364688333333,"{'tags': ['Rhodium oxide (1/2)', 'Rhodium(IV) oxide']}",-39.08618813,-6.514364688333333,-1.2189547283333322,"['bandstructure', 'elasticity']",True,"[28498, 647367]",True,2021-05-12 10:56:29.056000,NM,6,8,mp-725,oxide,RhO2,"{'functional': 'PBE', 'labels': ['Rh_pv', 'O'], 'pot_type': 'paw'}","{'Rh': 1.0, 'O': 2.0}",GGA,mp-725,"['mp-905842', 'mp-725', 'mp-918819', 'mp-919770', 'mp-1438110', 'mp-1702748', 'mp-1933883', 'mp-1593121']",0.00144435,"{'Rh': 2.0, 'O': 4.0}",65.05781978312169,[],NM,False,136,0,"[0, 0, 0, 0, 0, 0]",4.440204128619496e-05,0.00144435,0,0.0028887,MP,data/source/MP/cleaned/cifs/MP-mp-725.cif,True,,data/final/MP/graphs/Rh2O3-MP-mp-725-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
B4Rh4Tb1,1,0.0,2.0,False,B8Rh8Tb2,B8Rh8Tb2,0.0,Other,True,B44.444Rh44.444Tb11.111,B-Rh-Tb,3,Supercon,Tb1Rh4B4,MP-mp-1178967,Tb2B8Rh8,B-Rh-Tb,B44.444Rh44.444Tb11.111,P 42/n m c,tetragonal,5.347573,5.347573,7.476438,data/final/MP/cifs/B4Rh4Tb1-MP-mp-1178967.cif,data/source/MP/raw/cifs/mp-1178967.cif,mp-1178967,0.0,,2019-01-11 08:29:25.166000,9.5343628737661,,,{'GGA': {'task_id': 'mp-1668087'}},0.0113736279797942,6.85819104,520.0,-132.01873054,-7.33437391888889,{'tags': ['Terbium rhodium boride (1/4/4)']},-132.01873054,-7.33437391888889,-0.5778000674074077,['bandstructure'],True,[615322],True,2021-05-12 10:58:22.271000,NM,18,5,mp-1178967,,Tb(BRh)4,"{'functional': 'PBE', 'labels': ['Tb_3', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Tb': 1.0, 'B': 4.0, 'Rh': 4.0}",GGA,mp-1178967,"['mp-1178967', 'mp-1432209', 'mp-1668087', 'mp-1785516', 'mp-1599578']",0.01251635,"{'Tb': 2.0, 'B': 8.0, 'Rh': 8.0}",213.80023582290133,[],NM,False,137,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001170845294143,0.01251635,0,0.0250327,MP,data/source/MP/cleaned/cifs/MP-mp-1178967.cif,False,,data/final/MP/graphs/B4Rh4Tb1-MP-mp-1178967.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
C1.45Y1,2,0.0163265306122449,8.0,False,C11.6Y8,C12Y8,11.5,Other,True,C59.184Y40.816,C-Y,2,Supercon,C1.45Y1,MP-mp-1695,Y8C12,C-Y,C60Y40,I -4 3 d,cubic,7.157130121586623,7.15713012,7.157130119999999,data/final/MP/cifs/C1.45Y1-MP-mp-1695-synth_doped.cif,data/source/MP/raw/cifs/mp-1695.cif,mp-1695,0.0,,2011-05-15 19:04:09,5.032814278610675,10.17188/1192250,"@misc{osti_1192250,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Y2C3 (SG:220) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1192250"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1669276'}},0.0442951846600028,5.37066524,520.0,-167.58612106,-8.379306053,{'tags': ['Yttrium carbide (2/3)']},-167.58612106,-8.379306053,-0.256649187666666,"['xas', 'elasticity', 'bandstructure']",True,"[155382, 77572, 619114, 601153, 155383]",True,2021-05-12 10:56:14.760000,NM,20,8,mp-1695,,Y2C3,"{'functional': 'PBE', 'labels': ['Y_sv', 'C'], 'pot_type': 'paw'}","{'Y': 2.0, 'C': 3.0}",GGA,mp-1695,"['mp-927691', 'mp-927238', 'mp-911194', 'mp-1695', 'mp-1425550', 'mp-1669276', 'mp-1872240', 'mp-1598231']",0.0001762,"{'Y': 8.0, 'C': 12.0}",282.22458798795367,[],NM,False,220,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.497301900676646e-06,0.0001762,0,0.0007048,MP,data/source/MP/cleaned/cifs/MP-mp-1695.cif,True,,data/final/MP/graphs/C1.45Y1-MP-mp-1695-synth_doped.json,0,True,-43m,5,0,0,0,0,0,0,0,0,1,0,1.0,False
La0.93Pr0.07Tl3,2,0.0349999999999999,1.0,True,La0.93Pr0.07Tl3,La1Tl3,0.8,Other,True,La23.25Pr1.75Tl75,La-Pr-Tl,3,Supercon,La0.93Pr0.07Tl3,MP-mp-2001,La1Tl3,La-Tl,La25Tl75,P m -3 m,cubic,4.907746,4.907746,4.907746,data/final/MP/cifs/La0.93Pr0.07Tl3-MP-mp-2001-synth_doped.cif,data/source/MP/raw/cifs/mp-2001.cif,mp-2001,0.0,,2011-05-13 03:01:14,10.564590817587634,10.17188/1195185,"@misc{osti_1195185,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaTl3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195185"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672173'}},0.0,7.0710754,520.0,-13.48295662,-3.370739155,{'tags': ['Lanthanum thallium (1/3)']},-13.48295662,-3.370739155,-0.3647550187499999,"['xas', 'elasticity', 'bandstructure']",True,"[642070, 642074, 104731, 191075]",True,2021-05-12 10:56:14.760000,NM,4,12,mp-2001,,LaTl3,"{'functional': 'PBE', 'labels': ['La', 'Tl_d'], 'pot_type': 'paw'}","{'La': 1.0, 'Tl': 3.0}",GGA,mp-2001,"['mp-912617', 'mp-929406', 'mp-929013', 'mp-2001', 'mp-1067206', 'mp-1067244', 'mp-1067279', 'mp-1437566', 'mp-1672173', 'mp-1784822', 'mp-1591944', 'mp-1067301']",0.0014032,"{'La': 1.0, 'Tl': 3.0}",118.20782685234924,[],NM,False,221,0,"[0, 0, 0, 0]",1.18706183622909e-05,0.0014032,0,0.0014032,MP,data/source/MP/cleaned/cifs/MP-mp-2001.cif,True,,data/final/MP/graphs/La0.93Pr0.07Tl3-MP-mp-2001-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
K1S8V6,1,0.0,1.0,True,K1S8V6,K1S8V6,0.71,Chevrel,True,K6.667S53.333V40,K-S-V,3,Supercon,K1V6S8,MP-mp-1224064,K1V6S8,K-S-V,K6.667S53.333V40,P -3,trigonal,3.261947,9.19626018,9.204363639013804,data/final/MP/cifs/K1S8V6-MP-mp-1224064.cif,data/source/MP/raw/cifs/mp-1224064.cif,mp-1224064,0.0,,2019-01-13 00:22:04.966000,4.174366352797137,,,,0.0,6.74752934,520.0,-104.21868128,-6.947912085333333,{'tags': []},-104.21868128,-6.947912085333333,-1.3024831318666663,[],False,[],True,2021-05-12 11:00:52.054000,NM,15,2,mp-1224064,,K(V3S4)2,"{'functional': 'PBE', 'labels': ['K_sv', 'V_pv', 'S'], 'pot_type': 'paw'}","{'K': 1.0, 'V': 6.0, 'S': 8.0}",GGA,mp-1224064,"['mp-1224064', 'mp-1931718']",0.0044056,"{'K': 1.0, 'V': 6.0, 'S': 8.0}",239.1806939633079,[],NM,False,2,0,"[0.0, 0.0, -0.0, 0.0, 0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",1.841954685805808e-05,0.0044056,0,0.0044056,MP,data/source/MP/cleaned/cifs/MP-mp-1224064.cif,False,,data/final/MP/graphs/K1S8V6-MP-mp-1224064.json,0,True,-3,0,0,0,0,0,0,2,1,0,0,0,1.0,False
Ce0.105Cu1La1.895O4,2,0.0299999999999999,1.0,True,Ce0.105Cu1La1.895O4,Cu1La2O4,24.3,Cuprate,True,Ce1.5Cu14.286La27.071O57.142857142857146,Ce-Cu-La-O,4,Supercon,La1.895Ce0.105Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ce0.105Cu1La1.895O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ce0.105Cu1La1.895O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Th0.5Y0.5,1,0.0,2.0,False,Th1Y1,Th1Y1,1.25,Other,True,Th50Y50,Th-Y,2,Supercon,Th0.5Y0.5,MP-mp-1215899,Y1Th1,Th-Y,Th50Y50,R -3 m,trigonal,3.562185968405311,3.562185968405311,6.18229647,data/final/MP/cifs/Th0.5Y0.5-MP-mp-1215899.cif,data/source/MP/raw/cifs/mp-1215899.cif,mp-1215899,0.0,,2019-01-12 17:30:13.685000,8.318251284049529,,,{'GGA': {'task_id': 'mp-1717989'}},0.0291811466666667,5.54244126,520.0,-13.82196707,-6.910983535,{'tags': []},-13.82196707,-6.910983535,0.0291811466666667,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,NM,2,5,mp-1215899,,YTh,"{'functional': 'PBE', 'labels': ['Y_sv', 'Th'], 'pot_type': 'paw'}","{'Y': 1.0, 'Th': 1.0}",GGA,mp-1215899,"['mp-1215899', 'mp-1394500', 'mp-1717989', 'mp-1782976', 'mp-1612041']",0.0019629,"{'Y': 1.0, 'Th': 1.0}",64.06874264117039,[],NM,False,166,0,"[0, 0]",3.063740474810951e-05,0.0019629,0,0.0019629,MP,data/source/MP/cleaned/cifs/MP-mp-1215899.cif,False,,data/final/MP/graphs/Th0.5Y0.5-MP-mp-1215899.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Ag0.55Hg0.45,1,0.0,20.0,False,Ag11Hg9,Ag11Hg9,0.0,Other,True,Ag55Hg45,Ag-Hg,2,Supercon,Ag0.55Hg0.45,MP-mp-770433,Ag11Hg9,Ag-Hg,Ag55Hg45,P 3 m 1,trigonal,3.219134001854555,3.2191332900000003,46.742527,data/final/MP/cifs/Ag0.55Hg0.45-MP-mp-770433.cif,data/source/MP/raw/cifs/mp-770433.cif,mp-770433,0.0,,2014-02-17 18:57:26,11.843214432671,10.17188/1299783,"@misc{osti_1299783,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ag11Hg9 (SG:156) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1299783"",
    place = ""United States"",
    year = ""2014"",
    month = ""10"",
    note = ""An optional note""
}
",,0.0786079190833335,2.88618738,520.0,-32.31908094,-1.615954047,{'tags': []},-32.31908094,-1.615954047,0.0786079190833334,['xas'],False,[],True,2021-05-12 10:57:46.064000,NM,20,3,mp-770433,,Ag11Hg9,"{'functional': 'PBE', 'labels': ['Ag', 'Hg'], 'pot_type': 'paw'}","{'Ag': 11.0, 'Hg': 9.0}",GGA,mp-770433,"['mp-770433', 'mp-1378384', 'mp-1820316']",0.0002477,"{'Ag': 11.0, 'Hg': 9.0}",419.48921655936215,[],NM,False,156,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.904800176548706e-07,0.0002477,0,0.0002477,MP,data/source/MP/cleaned/cifs/MP-mp-770433.cif,False,,data/final/MP/graphs/Ag0.55Hg0.45-MP-mp-770433.json,0,True,3m,0,0,0,0,0,0,5,1,0,0,0,1.0,False
Pb0.99Te1Tl0.01,2,0.01,1.0,True,Pb0.99Te1Tl0.01,Pb1Te1,1.22,Other,True,Pb49.5Te50Tl0.5,Pb-Te-Tl,3,Supercon,Pb0.99Tl0.01Te1,MP-mp-19717,Te1Pb1,Pb-Te,Pb50Te50,F m -3 m,cubic,4.64263261,4.64263261,4.64263261,data/final/MP/cifs/Pb0.99Te1Tl0.01-MP-mp-19717-synth_doped.cif,data/source/MP/raw/cifs/mp-19717.cif,mp-19717,1.0581999999999994,,2013-09-21 09:56:54,7.856997090559908,10.17188/1194927,"@misc{osti_1194927,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TePb (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1194927"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686920'}},0.0,4.9735213,520.0,-7.66743933,-3.833719665,"{'tags': ['Altaite', 'Lead telluride (1/1)', 'High pressure experimental phase', 'Lead telluride']}",-7.66743933,-3.833719665,-0.6167456649999998,"['eos', 'xas', 'bandstructure', 'diel', 'phonons', 'elasticity']",True,"[194220, 648583, 648588, 648607, 63099, 648584, 648590, 604178, 648595, 96500, 648608, 648596, 648597, 182660, 648599, 648593, 648603, 96504, 648591, 648586, 96506, 600843, 600522, 648614, 182662, 648606, 186788, 96505, 153711, 648581, 648605, 648587, 248494, 648585, 190437, 648600, 648617, 602956, 38295, 648589, 648615, 63098, 648592, 290707, 648612, 648594, 182661, 648616, 248495, 648613]",True,2021-05-12 10:56:14.760000,NM,2,34,mp-19717,,TePb,"{'functional': 'PBE', 'labels': ['Te', 'Pb_d'], 'pot_type': 'paw'}","{'Te': 1.0, 'Pb': 1.0}",GGA,mp-19717,"['mp-658057', 'mp-655294', 'mp-656827', 'mp-19717', 'mp-1056883', 'mp-1056867', 'mp-1056875', 'mp-1059285', 'mp-1059296', 'mp-1059300', 'mp-1059866', 'mp-1059872', 'mp-1059851', 'mp-1060231', 'mp-1060244', 'mp-1060254', 'mp-1061267', 'mp-1061381', 'mp-1061396', 'mp-1061412', 'mp-1061239', 'mp-1061250', 'mp-1142129', 'mp-1440755', 'mp-1686920', 'mp-1801248', 'mp-1594316', 'mp-1595339', 'mp-1059310', 'mp-1060260', 'mp-1061273', 'mp-1061416', 'mp-1056891', 'mp-1059878']",0.0014838,"{'Te': 1.0, 'Pb': 1.0}",70.75839192630549,[],NM,False,225,0,"[0, 0]",2.096995083700277e-05,0.0014838,0,0.0014838,MP,data/source/MP/cleaned/cifs/MP-mp-19717.cif,True,,data/final/MP/graphs/Pb0.99Te1Tl0.01-MP-mp-19717-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
N0.97W1,2,0.0152284263959391,1.0,True,N0.97W1,N1W1,0.0,Other,True,N49.239W50.761,N-W,2,Supercon,N0.97W1,MP-mp-991,W1N1,N-W,N50W50,P -6 m 2,hexagonal,2.8760340022429367,2.87603443,2.908033,data/final/MP/cifs/N0.97W1-MP-mp-991-synth_doped.cif,data/source/MP/raw/cifs/mp-991.cif,mp-991,0.0,,2011-05-12 17:57:01,15.771021657713977,10.17188/1316970,"@misc{osti_1316970,
    author = ""Persson, Kristin"",
    title = ""Materials Data on WN (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1316970"",
    place = ""United States"",
    year = ""2016"",
    month = ""9"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686423'}},0.2882635958333353,9.86325569,520.0,-21.43562829,-10.717814145,{'tags': []},-21.43562829,-10.717814145,-0.2510034475000005,"['xas', 'elasticity', 'bandstructure']",True,"[186210, 644869, 76005]",True,2021-05-12 10:56:37.246000,NM,2,12,mp-991,,WN,"{'functional': 'PBE', 'labels': ['W_pv', 'N'], 'pot_type': 'paw'}","{'W': 1.0, 'N': 1.0}",GGA,mp-991,"['mp-1000827', 'mp-1007279', 'mp-991', 'mp-1059245', 'mp-1059166', 'mp-1059198', 'mp-1440263', 'mp-1686423', 'mp-1794012', 'mp-1012024', 'mp-1590620', 'mp-1059216']",0.0001134,"{'W': 1.0, 'N': 1.0}",20.831381864674405,[],NM,False,187,0,"[0, 0]",5.443709915005797e-06,0.0001134,0,0.0001134,MP,data/source/MP/cleaned/cifs/MP-mp-991.cif,True,,data/final/MP/graphs/N0.97W1-MP-mp-991-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
B4Rh4Y1,1,0.0,2.0,False,B8Rh8Y2,B8Rh8Y2,10.95775,Other,True,B44.444Rh44.444Y11.111,B-Rh-Y,3,Supercon,Y1Rh4B4,MP-mp-5984,Y2B8Rh8,B-Rh-Y,B44.444Rh44.444Y11.111,P 42/n m c,tetragonal,5.347098,5.347098,7.470892,data/final/MP/cifs/B4Rh4Y1-MP-mp-5984.cif,data/source/MP/raw/cifs/mp-5984.cif,mp-5984,0.0,,2011-05-17 01:51:06,8.454483259902709,10.17188/1277215,"@misc{osti_1277215,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Y(BRh)4 (SG:137) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277215"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1705290'}},0.0126497084259256,6.88552514,520.0,-135.64692549,-7.535940305,"{'tags': ['Yttrium rhodium boride (1/4/4)', 'Rhodium yttrium boride (4/1/4)']}",-135.64692549,-7.535940305,-0.5757992298148148,"['xas', 'bandstructure']",True,"[44569, 615346, 602655, 87283]",True,2021-05-12 10:57:26.891000,NM,18,8,mp-5984,,Y(BRh)4,"{'functional': 'PBE', 'labels': ['Y_sv', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Y': 1.0, 'B': 4.0, 'Rh': 4.0}",GGA,mp-5984,"['mp-910312', 'mp-5984', 'mp-926161', 'mp-925748', 'mp-1430442', 'mp-1705290', 'mp-1828135', 'mp-1604702']",0.00010715,"{'Y': 2.0, 'B': 8.0, 'Rh': 8.0}",213.60368753104515,[],NM,False,137,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.0032598335590702e-06,0.00010715,0,0.0002143,MP,data/source/MP/cleaned/cifs/MP-mp-5984.cif,False,,data/final/MP/graphs/B4Rh4Y1-MP-mp-5984.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
P4W14O50,1,0.0,1.0,True,P4W14O50,P4W14O50,0.39,Oxide,True,P5.882W20.588O73.52941176470588,P-W-O,3,Supercon,P4W14O50,MP-mp-29182,P4W14O50,P-W-O,P5.882W20.588O73.52941176470588,P 1 21/c 1,monoclinic,5.416148,6.715136,27.28221600148504,data/final/MP/cifs/P4W14O50-MP-mp-29182.cif,data/source/MP/raw/cifs/mp-29182.cif,mp-29182,0.0,,2014-02-16 10:09:34,5.853253977354716,,,{'GGA+U': {'task_id': 'mp-1683654'}},0.002223475588261,2.10206929,520.0,-510.16355487,-7.50240521867647,{'tags': ['Phosphorus tungsten oxide (4/14/50)']},-510.16355487,-7.50240521867647,-2.296772411960784,['xas'],False,[82072],True,2021-05-12 10:57:08.928000,FM,68,6,mp-29182,oxide,P2W7O25,"{'functional': 'PBE', 'labels': ['P', 'W_pv', 'O'], 'pot_type': 'paw'}","{'P': 2.0, 'W': 7.0, 'O': 25.0}",GGA+U,mp-29182,"['mp-622674', 'mp-505323', 'mp-29182', 'mp-1350834', 'mp-1683654', 'mp-1849257']",1.99996985,"{'P': 4.0, 'W': 14.0, 'O': 50.0}",992.2588452496138,[],FM,True,2,4,"[0.0, 0.0, 0.0, 0.0, 0.4, 0.4, 0.4, 0.4, 0.1, 0.1, 0.1, 0.1, 0.2, 0.2, 0.2, 0.2, 1.1, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0040311454205215,1.99996985,14,3.9999397,MP,data/source/MP/cleaned/cifs/MP-mp-29182.cif,False,,data/final/MP/graphs/P4W14O50-MP-mp-29182.json,0,True,2/m,0,0,3,0,0,0,0,1,0,0,0,1.0,False
Sc1Si2,1,0.0,1.0,True,Sc1Si2,Sc1Si2,0.0,Other,True,Sc33.333Si66.667,Sc-Si,2,Supercon,Sc1Si2,MP-mp-2841,Sc1Si2,Sc-Si,Sc33.333Si66.667,P 6/m m m,hexagonal,3.596132,4.038742002104019,4.03874272,data/final/MP/cifs/Sc1Si2-MP-mp-2841.cif,data/source/MP/raw/cifs/mp-2841.cif,mp-2841,0.0,,2011-05-12 18:40:11,3.305652996948565,10.17188/1202526,"@misc{osti_1202526,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ScSi2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1202526"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687442'}},0.2113407599999988,7.88273384,520.0,-18.29334258,-6.09778086,{'tags': ['Scandium silicon (1/2)']},-18.29334258,-6.09778086,-0.3227484783333333,"['xas', 'elasticity', 'bandstructure']",True,"[657975, 651822]",True,2021-05-12 10:56:18.721000,NM,3,9,mp-2841,,ScSi2,"{'functional': 'PBE', 'labels': ['Sc_sv', 'Si'], 'pot_type': 'paw'}","{'Sc': 1.0, 'Si': 2.0}",GGA,mp-2841,"['mp-1001146', 'mp-1007512', 'mp-2841', 'mp-1143010', 'mp-1439623', 'mp-1687442', 'mp-1793572', 'mp-1012270', 'mp-1592279']",0.0046052,"{'Sc': 1.0, 'Si': 2.0}",50.799399760238416,[],NM,False,191,0,"[0, 0, 0]",9.065461445874348e-05,0.0046052,0,0.0046052,MP,data/source/MP/cleaned/cifs/MP-mp-2841.cif,False,,data/final/MP/graphs/Sc1Si2-MP-mp-2841.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Al1Hf0.015Nb2.985,2,0.0075,2.0,False,Al2Hf0.03Nb5.97,Al2Nb6,18.0,Other,True,Al25Hf0.375Nb74.625,Al-Hf-Nb,3,Supercon,Nb2.985Hf0.015Al1,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al1Hf0.015Nb2.985-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al1Hf0.015Nb2.985-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Cu3Y0.8Zn0.2O7,3,0.0307692307692307,1.0,True,Ba2Cu3Y0.8Zn0.2O7,Ba2Cu3Y1O7,43.0,Cuprate,True,Ba15.385Cu23.077Y6.154Zn1.538O53.84615384615385,Ba-Cu-Y-Zn-O,5,Supercon,Y0.8Zn0.2Ba2Cu3O7,MP-mp-20674,Ba2Y1Cu3O7,Ba-Cu-Y-O,Ba15.385Cu23.077Y7.692O53.84615384615385,P m m m,orthorhombic,3.844668,3.926152,11.823664,data/final/MP/cifs/Ba2Cu3Y0.8Zn0.2O7-MP-mp-20674-synth_doped.cif,data/source/MP/raw/cifs/mp-20674.cif,mp-20674,0.0,,2014-02-22 18:23:22,6.198285186087997,10.17188/1195834,"@misc{osti_1195834,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2YCu3O7 (SG:47) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195834"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686609'}},0.0313759126602519,3.28295453,520.0,-80.7708035,-6.213138730769231,"{'tags': ['Yttrium barium copper oxide (1/2/3/7)', 'Dibarium yttrium dicopper copper(III) oxide', 'Yttrium barium copper oxide (1/2/3/6.93)', 'Dibarium yttrium copper(III) dicopper oxide', 'High pressure experimental phase', 'Yttrium dibarium dicopper copper(III) oxide']}",-80.7708035,-6.213138730769231,-2.180157206282052,"['xas', 'elasticity', 'bandstructure']",True,"[196266, 196264, 196265, 71423, 66620, 63483, 66621, 164530, 56507, 63487, 66602, 66601, 68394, 63486, 63485, 202774, 62466, 62465, 41646, 65224, 202773, 66600, 63335, 66611, 78598, 66617, 81175, 66610, 66619, 66615, 63484, 86958, 262809, 66609, 184677, 202775, 66616, 63488, 66618, 66623, 202771, 66622, 202772, 77737, 202770, 62928, 77745]",True,2021-05-12 10:56:14.760000,NM,13,14,mp-20674,oxide,Ba2YCu3O7,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Y_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Y': 1.0, 'Cu': 3.0, 'O': 7.0}",GGA,mp-20674,"['mp-923155', 'mp-917354', 'mp-922372', 'mp-20674', 'mp-1103385', 'mp-1103741', 'mp-1103748', 'mp-1104329', 'mp-1104589', 'mp-1440689', 'mp-1686609', 'mp-1832558', 'mp-1596594', 'mp-1592890']",0.0001806,"{'Ba': 2.0, 'Y': 1.0, 'Cu': 3.0, 'O': 7.0}",178.47526348558395,[],NM,False,47,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.0119049355799813e-06,0.0001806,0,0.0001806,MP,data/source/MP/cleaned/cifs/MP-mp-20674.cif,True,,data/final/MP/graphs/Ba2Cu3Y0.8Zn0.2O7-MP-mp-20674-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Cu2La2Sr1O6.2,2,0.0162337662337662,0.9676854838709678,True,Cu1.935La1.935Sr0.968O6,Cu2La2Sr1O6,0.0,Cuprate,True,Cu17.857La17.857Sr8.929O55.35714285714286,Cu-La-Sr-O,4,Supercon,La2Sr1Cu2O6.2,MP-mp-1218240,Sr1La2Cu2O6,Cu-La-Sr-O,Cu18.182La18.182Sr9.091O54.54545454545455,I 4/m m m,tetragonal,3.878414000890276,3.878414000890275,10.332121229999998,data/final/MP/cifs/Cu2La2Sr1O6.2-MP-mp-1218240-synth_doped.cif,data/source/MP/raw/cifs/mp-1218240.cif,mp-1218240,0.0,,2019-01-12 19:26:29.085000,6.521932952077898,,,{'GGA': {'task_id': 'mp-1744577'}},0.040209457727272,6.22729824,520.0,-74.48878828,-6.7717080254545445,{'tags': []},-74.48878828,-6.7717080254545445,-2.6511910224242423,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,11,5,mp-1218240,oxide,SrLa2(CuO3)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 1.0, 'La': 2.0, 'Cu': 2.0, 'O': 6.0}",GGA,mp-1218240,"['mp-1218240', 'mp-1442927', 'mp-1744577', 'mp-1780326', 'mp-1622813']",0.0208588,"{'Sr': 1.0, 'La': 2.0, 'Cu': 2.0, 'O': 6.0}",149.8419813114288,[],NM,False,139,0,"[0.0, 0.0, 0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001392053136073,0.0208588,0,0.0208588,MP,data/source/MP/cleaned/cifs/MP-mp-1218240.cif,True,,data/final/MP/graphs/Cu2La2Sr1O6.2-MP-mp-1218240-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
C1Mo0.9Ru0.1,3,0.0999999999999999,1.0,True,C1Mo0.9Ru0.1,C1Mo1,13.65,Other,True,C50Mo45Ru5,C-Mo-Ru,3,Supercon,Mo0.9Ru0.1C1,MP-mp-2305,Mo1C1,C-Mo,C50Mo50,P -6 m 2,hexagonal,2.835086,2.92410600478411,2.92410507,data/final/MP/cifs/C1Mo0.9Ru0.1-MP-mp-2305-synth_doped.cif,data/source/MP/raw/cifs/mp-2305.cif,mp-2305,0.0,,2011-05-12 17:49:42,8.538697979393088,10.17188/1199194,"@misc{osti_1199194,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MoC (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199194"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668222'}},0.0010243049999996,8.62658168,520.0,-20.24014809,-10.120074045,{'tags': ['Molybdenum carbide (1/1)']},-20.24014809,-10.120074045,-0.0838621800000005,"['xas', 'elasticity', 'bandstructure']",True,"[77156, 618300]",True,2021-05-12 10:56:16.728000,NM,2,9,mp-2305,,MoC,"{'functional': 'PBE', 'labels': ['Mo_pv', 'C'], 'pot_type': 'paw'}","{'Mo': 1.0, 'C': 1.0}",GGA,mp-2305,"['mp-927633', 'mp-927239', 'mp-911174', 'mp-2305', 'mp-1116092', 'mp-1440368', 'mp-1668222', 'mp-1791400', 'mp-1638434']",0.0001977,"{'Mo': 1.0, 'C': 1.0}",20.99340614335182,[],NM,False,187,0,"[0, 0]",9.417242664197564e-06,0.0001977,0,0.0001977,MP,data/source/MP/cleaned/cifs/MP-mp-2305.cif,True,,data/final/MP/graphs/C1Mo0.9Ru0.1-MP-mp-2305-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
B2C1Er1Fe0.08Ni1.92,2,0.0266666666666666,1.0,True,B2C1Er1Fe0.08Ni1.92,B2C1Er1Ni2,4.63,Other,True,B33.333C16.667Er16.667Fe1.333Ni32,B-C-Er-Fe-Ni,5,Supercon,Er1Ni1.92Fe0.08B2C1,MP-mp-6098,Er1Ni2B2C1,B-C-Er-Ni,B33.333C16.667Er16.667Ni33.333,I 4/m m m,tetragonal,3.5122880026935177,3.5122880026935173,5.77805085,data/final/MP/cifs/B2C1Er1Fe0.08Ni1.92-MP-mp-6098-synth_doped.cif,data/source/MP/raw/cifs/mp-6098.cif,mp-6098,0.0,,2011-05-13 04:24:02,8.212015229638553,10.17188/1277667,"@misc{osti_1277667,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ErNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277667"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700042'}},0.0,6.72687579,520.0,-41.84324782,-6.973874636666667,{'tags': []},-41.84324782,-6.973874636666667,-0.5216152347222227,"['xas', 'elasticity', 'bandstructure']",True,"[246431, 79576, 56651]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6098,,ErNi2B2C,"{'functional': 'PBE', 'labels': ['Er_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Er': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6098,"['mp-1006980', 'mp-1000513', 'mp-6098', 'mp-1441533', 'mp-1700042', 'mp-1793903', 'mp-1011723', 'mp-1589040']",0.0020747,"{'Er': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",64.35860973581151,[],NM,False,139,0,"[0.0, -0.0, -0.0, 0.0, 0.0, 0.0]",3.2236557136900987e-05,0.0020747,0,0.0020747,MP,data/source/MP/cleaned/cifs/MP-mp-6098.cif,True,,data/final/MP/graphs/B2C1Er1Fe0.08Ni1.92-MP-mp-6098-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ag1La1Sb2,1,0.0,2.0,False,Ag2La2Sb4,Ag2La2Sb4,0.0,Other,True,Ag25La25Sb50,Ag-La-Sb,3,Supercon,La1Ag1Sb2,MP-mp-20271,La2Ag2Sb4,Ag-La-Sb,Ag25La25Sb50,P 4/n m m,tetragonal,4.440175,4.440175,10.953209,data/final/MP/cifs/Ag1La1Sb2-MP-mp-20271.cif,data/source/MP/raw/cifs/mp-20271.cif,mp-20271,0.0,,2014-02-21 11:59:42,7.54039037374044,10.17188/1195401,"@misc{osti_1195401,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaAgSb2 (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195401"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704422'}},0.0,7.10344659,520.0,-38.04463098,-4.7555788725,{'tags': ['Lanthanum silver antimonide (1/1/2)']},-38.04463098,-4.7555788725,-0.8449374754166668,"['xas', 'bandstructure']",True,"[95223, 95222, 95220, 95221, 95219]",True,2021-05-12 10:56:57.051000,NM,8,14,mp-20271,,LaAgSb2,"{'functional': 'PBE', 'labels': ['La', 'Ag', 'Sb'], 'pot_type': 'paw'}","{'La': 1.0, 'Ag': 1.0, 'Sb': 2.0}",GGA,mp-20271,"['mp-911670', 'mp-927545', 'mp-928161', 'mp-20271', 'mp-1079466', 'mp-1079990', 'mp-1080566', 'mp-1080830', 'mp-1084848', 'mp-1180614', 'mp-1420973', 'mp-1704422', 'mp-1786756', 'mp-1590028']",2.175e-05,"{'La': 2.0, 'Ag': 2.0, 'Sb': 4.0}",215.94420256462803,[],NM,False,129,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.014409254028539e-07,2.175e-05,0,4.35e-05,MP,data/source/MP/cleaned/cifs/MP-mp-20271.cif,False,,data/final/MP/graphs/Ag1La1Sb2-MP-mp-20271.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As1Fe1Tb1O0.9,2,0.0384615384615384,2.0,False,As2Fe2Tb2O1.8,As2Fe2Tb2O2,22.8,Ferrite,True,As25.641Fe25.641Tb25.641O23.07692307692308,As-Fe-Tb-O,4,Supercon,Tb1Fe1As1O0.9,MP-mp-1079887,Tb2Fe2As2O2,As-Fe-Tb-O,As25Fe25Tb25O25,P 4/n m m,tetragonal,3.971557,3.971557,9.096524,data/final/MP/cifs/As1Fe1Tb1O0.9-MP-mp-1079887-synth_doped.cif,data/source/MP/raw/cifs/mp-1079887.cif,mp-1079887,0.0,,2018-04-16 16:53:03,7.075630957925009,,,{'GGA+U': {'task_id': 'mp-1697746'}},0.2848640540625,4.29262424,520.0,-53.1200584,-6.6400073,{'tags': []},-53.1200584,-6.6400073,-1.69789381,['bandstructure'],True,[422004],True,2021-05-12 10:58:16.596000,FM,8,5,mp-1079887,oxide,TbFeAsO,"{'functional': 'PBE', 'labels': ['Tb_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Tb': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-1079887,"['mp-1079887', 'mp-1418181', 'mp-1697746', 'mp-1779163', 'mp-1589035']",3.7855201,"{'Tb': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",143.48188366951112,[],FM,True,129,1,"[0.0, 0.0, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0]",0.0527665235942869,3.7855201,2,7.5710402,MP,data/source/MP/cleaned/cifs/MP-mp-1079887.cif,True,,data/final/MP/graphs/As1Fe1Tb1O0.9-MP-mp-1079887-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As1Fe1Tb1O0.85,3,0.0584415584415584,2.0,False,As2Fe2Tb2O1.7,As2Fe2Tb2O2,44.4,Ferrite,True,As25.974Fe25.974Tb25.974O22.07792207792208,As-Fe-Tb-O,4,Supercon,Tb1Fe1As1O0.85,MP-mp-1079887,Tb2Fe2As2O2,As-Fe-Tb-O,As25Fe25Tb25O25,P 4/n m m,tetragonal,3.971557,3.971557,9.096524,data/final/MP/cifs/As1Fe1Tb1O0.85-MP-mp-1079887-synth_doped.cif,data/source/MP/raw/cifs/mp-1079887.cif,mp-1079887,0.0,,2018-04-16 16:53:03,7.075630957925009,,,{'GGA+U': {'task_id': 'mp-1697746'}},0.2848640540625,4.29262424,520.0,-53.1200584,-6.6400073,{'tags': []},-53.1200584,-6.6400073,-1.69789381,['bandstructure'],True,[422004],True,2021-05-12 10:58:16.596000,FM,8,5,mp-1079887,oxide,TbFeAsO,"{'functional': 'PBE', 'labels': ['Tb_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Tb': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-1079887,"['mp-1079887', 'mp-1418181', 'mp-1697746', 'mp-1779163', 'mp-1589035']",3.7855201,"{'Tb': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",143.48188366951112,[],FM,True,129,1,"[0.0, 0.0, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0]",0.0527665235942869,3.7855201,2,7.5710402,MP,data/source/MP/cleaned/cifs/MP-mp-1079887.cif,True,,data/final/MP/graphs/As1Fe1Tb1O0.85-MP-mp-1079887-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
La1Pt1Si1,1,0.0,2.0,False,La2Pt2Si2,La2Pt2Si2,3.5166666665,Other,True,La33.333Pt33.333Si33.333,La-Pt-Si,3,Supercon,La1Pt1Si1,MP-mp-1206485,La2Si2Pt2,La-Pt-Si,La33.333Pt33.333Si33.333,I 41 m d,tetragonal,4.277808001286174,4.277808001286175,7.94541446,data/final/MP/cifs/La1Pt1Si1-MP-mp-1206485.cif,data/source/MP/raw/cifs/mp-1206485.cif,mp-1206485,0.0,,2019-01-12 09:47:13.211000,8.943745313538361,,,{'GGA': {'task_id': 'mp-1734531'}},0.0,7.90579938,520.0,-39.77896993,-6.629828321666667,{'tags': ['LaPtSi']},-39.77896993,-6.629828321666667,-1.1287520433333331,['bandstructure'],True,[],True,2021-05-12 10:58:37.524000,NM,6,5,mp-1206485,,LaSiPt,"{'functional': 'PBE', 'labels': ['La', 'Si', 'Pt'], 'pot_type': 'paw'}","{'La': 1.0, 'Si': 1.0, 'Pt': 1.0}",GGA,mp-1206485,"['mp-1206485', 'mp-1387492', 'mp-1734531', 'mp-1788111', 'mp-1628393']",1.825e-05,"{'La': 2.0, 'Si': 2.0, 'Pt': 2.0}",134.4491846861766,[],NM,False,109,0,"[0, 0, 0, 0, 0, 0]",2.714780315343388e-07,1.825e-05,0,3.65e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1206485.cif,False,,data/final/MP/graphs/La1Pt1Si1-MP-mp-1206485.json,0,True,4mm,0,0,0,0,5,0,0,0,0,1,0,1.0,False
C0.026N0.974Nb1,2,0.026,1.0,True,C0.026N0.974Nb1,N1Nb1,17.2,Other,True,C1.3N48.7Nb50,C-N-Nb,3,Supercon,C0.026N0.974Nb1,MP-mp-2634,Nb1N1,N-Nb,N50Nb50,P -6 m 2,hexagonal,2.898656,2.9761920047347994,2.97619211,data/final/MP/cifs/C0.026N0.974Nb1-MP-mp-2634-synth_doped.cif,data/source/MP/raw/cifs/mp-2634.cif,mp-2634,0.0,,2011-05-12 17:49:04,7.984187332554685,10.17188/1201157,"@misc{osti_1201157,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NbN (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201157"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671304'}},0.0,7.12357548,520.0,-20.57319827,-10.286599135,"{'tags': ['Niobium nitride (1/1)', 'Niobium nitride', 'Niobium nitride (1/1) - gamma']}",-20.57319827,-10.286599135,-1.2481991524999998,"['xas', 'elasticity', 'bandstructure']",True,"[185569, 644536, 76385, 191062]",True,2021-05-12 10:56:18.721000,NM,2,17,mp-2634,,NbN,"{'functional': 'PBE', 'labels': ['Nb_pv', 'N'], 'pot_type': 'paw'}","{'Nb': 1.0, 'N': 1.0}",GGA,mp-2634,"['mp-926732', 'mp-910421', 'mp-926222', 'mp-2634', 'mp-1058402', 'mp-1058440', 'mp-1058487', 'mp-1061535', 'mp-1061589', 'mp-1061648', 'mp-1116126', 'mp-1442283', 'mp-1671304', 'mp-1924826', 'mp-1594881', 'mp-1061618', 'mp-1058457']",0.0002504,"{'Nb': 1.0, 'N': 1.0}",22.23561881453577,[],NM,False,187,0,"[0, 0]",1.1261211216496917e-05,0.0002504,0,0.0002504,MP,data/source/MP/cleaned/cifs/MP-mp-2634.cif,True,,data/final/MP/graphs/C0.026N0.974Nb1-MP-mp-2634-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Ca1Ti1O3,1,0.0,4.0,False,Ca4Ti4O12,Ca4Ti4O12,0.0,Oxide,True,Ca20Ti20O60,Ca-Ti-O,3,Supercon,Ca1Ti1O3,MP-mp-4019,Ca4Ti4O12,Ca-Ti-O,Ca20Ti20O60,P n m a,orthorhombic,5.40776,5.507429,7.694012,data/final/MP/cifs/Ca1Ti1O3-MP-mp-4019.cif,data/source/MP/raw/cifs/mp-4019.cif,mp-4019,2.3053,,2011-05-16 07:29:00,3.9404643432524105,10.17188/1207766,"@misc{osti_1207766,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CaTiO3 (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207766"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686931'}},0.0,3.02173783,520.0,-161.85764279,-8.0928821395,"{'tags': ['Calcium titanate - Pbnm', 'Calcium titanate', 'Perovskite', 'High pressure experimental phase', 'Calcium titanium oxide']}",-161.85764279,-8.0928821395,-3.5560871571666666,"['xas', 'elasticity', 'bandstructure']",True,"[193648, 50364, 74214, 162918, 97828, 62149, 185453, 185454, 162914, 162916, 185449, 185448, 185444, 174127, 180956, 162909, 163528, 189135, 185446, 74216, 185447, 96258, 162915, 153172, 167809, 185450, 74213, 94568, 163663, 162908, 162911, 162917, 51024, 162910, 71916, 185445, 150420, 37263, 157115, 165801, 93082, 185451, 162913, 74212, 71915, 186224, 74215, 85101, 82487, 163662, 162912, 185443, 185452, 167888, 16688]",True,2021-05-12 10:56:20.740000,NM,20,25,mp-4019,oxide,CaTiO3,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Ti_pv', 'O'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Ti': 1.0, 'O': 3.0}",GGA,mp-4019,"['mp-662102', 'mp-657123', 'mp-671473', 'mvc-11484', 'mp-4625', 'mp-4019', 'mp-37583', 'mp-1104982', 'mp-1105829', 'mp-1105880', 'mp-1106206', 'mp-1106212', 'mp-1106217', 'mp-1188196', 'mp-1188252', 'mp-1188551', 'mp-1188892', 'mp-1189361', 'mp-1189714', 'mp-1189996', 'mp-1440636', 'mp-1686931', 'mp-1927133', 'mp-1590244', 'mp-1592878']",2.39e-05,"{'Ca': 4.0, 'Ti': 4.0, 'O': 12.0}",229.14963798636475,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.171946368324115e-07,2.39e-05,0,9.56e-05,MP,data/source/MP/cleaned/cifs/MP-mp-4019.cif,False,,data/final/MP/graphs/Ca1Ti1O3-MP-mp-4019.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Bi2Ca0.75Cu2Sr2Y0.25O8,3,0.0333333333333333,2.0,False,Bi4Ca1.5Cu4Sr4Y0.5O16,Bi4Ca2Cu4Sr4O16,89.4,Cuprate,True,Bi13.333Ca5Cu13.333Sr13.333Y1.667O53.333333333333336,Bi-Ca-Cu-Sr-Y-O,6,Supercon,Bi2Sr2Ca0.75Y0.25Cu2O8,MP-mp-1218930,Sr4Ca2Cu4Bi4O16,Bi-Ca-Cu-Sr-O,Bi13.333Ca6.667Cu13.333Sr13.333O53.333333333333336,C c c 2,orthorhombic,5.417115,5.472898000129128,16.11398919,data/final/MP/cifs/Bi2Ca0.75Cu2Sr2Y0.25O8-MP-mp-1218930-synth_doped.cif,data/source/MP/raw/cifs/mp-1218930.cif,mp-1218930,0.0,,2019-01-12 20:01:06.544000,6.266668983881059,,,,0.039252223722225,4.51768334,520.0,-173.15021002,-5.771673667333333,{'tags': []},-173.15021002,-5.771673667333333,-2.074956548222222,[],False,[],True,2021-05-12 11:00:42.526000,NM,30,3,mp-1218930,oxide,Sr2CaCu2(BiO4)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'O': 8.0}",GGA,mp-1218930,"['mp-1218930', 'mp-1359698', 'mp-1817714']",0.00011165,"{'Sr': 4.0, 'Ca': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'O': 16.0}",470.7976286073367,[],NM,False,37,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.743014544498498e-07,0.00011165,0,0.0002233,MP,data/source/MP/cleaned/cifs/MP-mp-1218930.cif,True,,data/final/MP/graphs/Bi2Ca0.75Cu2Sr2Y0.25O8-MP-mp-1218930-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
Cu1Y1,1,0.0,4.0,False,Cu4Y4,Cu4Y4,0.235,Other,True,Cu50Y50,Cu-Y,2,Supercon,Cu1Y1,MP-mp-1080443,Y4Cu4,Cu-Y,Cu50Y50,P n m a,orthorhombic,4.448,5.417552,7.207727,data/final/MP/cifs/Cu1Y1-MP-mp-1080443.cif,data/source/MP/raw/cifs/mp-1080443.cif,mp-1080443,0.0,,2018-04-23 19:11:50,5.830094463983393,,,{'GGA': {'task_id': 'mp-1752771'}},0.0,4.42336203,520.0,-44.33120864,-5.54140108,{'tags': ['Yttrium copper (1/1)']},-44.33120864,-5.54140108,-0.2585621883333333,['bandstructure'],True,[185943],True,2021-05-12 10:58:16.596000,NM,8,5,mp-1080443,,YCu,"{'functional': 'PBE', 'labels': ['Y_sv', 'Cu_pv'], 'pot_type': 'paw'}","{'Y': 1.0, 'Cu': 1.0}",GGA,mp-1080443,"['mp-1080443', 'mp-1409536', 'mp-1752771', 'mp-1830692', 'mp-1619060']",0.000122775,"{'Y': 4.0, 'Cu': 4.0}",173.6865529465042,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.8275073209107886e-06,0.000122775,0,0.0004911,MP,data/source/MP/cleaned/cifs/MP-mp-1080443.cif,False,,data/final/MP/graphs/Cu1Y1-MP-mp-1080443.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Fe4P12Pr1,1,0.0,1.0,True,Fe4P12Pr1,Fe4P12Pr1,0.0,Ferrite,True,Fe23.529P70.588Pr5.882,Fe-P-Pr,3,Supercon,Pr1Fe4P12,MP-mp-16430,Pr1Fe4P12,Fe-P-Pr,Fe23.529P70.588Pr5.882,I m -3,cubic,6.771326191501098,6.771326190000001,6.771326190000001,data/final/MP/cifs/Fe4P12Pr1-MP-mp-16430.cif,data/source/MP/raw/cifs/mp-16430.cif,mp-16430,0.0,,2011-06-04 01:02:00,5.113420903587575,10.17188/1191860,"@misc{osti_1191860,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Pr(FeP3)4 (SG:204) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191860"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677016'}},0.0,8.01416658,520.0,-113.68637125,-6.6874336029411765,{'tags': ['Praseodymium iron phosphide (1/4/12)']},-113.68637125,-6.6874336029411765,-0.5921063661764705,"['xas', 'bandstructure']",True,"[633075, 93363]",True,2021-05-12 10:56:53.126000,NM,17,9,mp-16430,,Pr(FeP3)4,"{'functional': 'PBE', 'labels': ['Pr_3', 'Fe_pv', 'P'], 'pot_type': 'paw'}","{'Pr': 1.0, 'Fe': 4.0, 'P': 12.0}",GGA,mp-16430,"['mp-991301', 'mp-993263', 'mp-16430', 'mp-1189349', 'mp-1382711', 'mp-1677016', 'mp-1774618', 'mp-994594', 'mp-1605138']",0.0134762,"{'Pr': 1.0, 'Fe': 4.0, 'P': 12.0}",239.0007784288441,[],NM,False,204,0,"[-0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",5.638559040933068e-05,0.0134762,0,0.0134762,MP,data/source/MP/cleaned/cifs/MP-mp-16430.cif,False,,data/final/MP/graphs/Fe4P12Pr1-MP-mp-16430.json,0,True,m-3,2,0,0,0,0,0,0,0,0,1,0,1.0,False
Ba1.75Cu4Sr0.25Y1O8,3,0.0333333333333333,1.0,True,Ba1.75Cu4Sr0.25Y1O8,Ba2Cu4Y1O8,0.0,Cuprate,True,Ba11.667Cu26.667Sr1.667Y6.667O53.333333333333336,Ba-Cu-Sr-Y-O,5,Supercon,Y1Ba1.75Sr0.25Cu4O8,MP-mp-6790,Ba2Y1Cu4O8,Ba-Cu-Y-O,Ba13.333Cu26.667Y6.667O53.333333333333336,C m m m,orthorhombic,3.889922,3.899603999537882,13.88942687,data/final/MP/cifs/Ba1.75Cu4Sr0.25Y1O8-MP-mp-6790-synth_doped.cif,data/source/MP/raw/cifs/mp-6790.cif,mp-6790,0.0,,2011-05-16 03:21:24,5.936250568336678,10.17188/1283441,"@misc{osti_1283441,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2Y(CuO2)4 (SG:65) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1283441"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686864'}},0.0,3.31391536,520.0,-91.58381472,-6.105587648,"{'tags': ['Yttrium barium copper oxide (1/2/4/8)', 'High pressure experimental phase']}",-91.58381472,-6.105587648,-2.0529924817777783,"['xas', 'bandstructure']",True,"[72261, 85273, 74251, 400273, 85277, 85275, 400280, 67632, 85272, 67631, 83920, 66613, 85279, 400277, 75689, 74259, 85278, 85280, 66603, 94265, 400276, 88873, 71417, 75712, 97052, 66605, 72258, 85281, 85274, 400279, 66604, 69698]",True,2021-05-12 10:57:34.594000,NM,15,10,mp-6790,oxide,Ba2Y(CuO2)4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Y_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Y': 1.0, 'Cu': 4.0, 'O': 8.0}",GGA,mp-6790,"['mp-1000664', 'mp-6790', 'mp-1007136', 'mp-1237713', 'mp-1440937', 'mp-1686864', 'mp-1834179', 'mp-1011883', 'mp-1590064', 'mp-1590433']",0.0004643,"{'Ba': 2.0, 'Y': 1.0, 'Cu': 4.0, 'O': 8.0}",208.60454115924333,[],NM,False,65,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.225742533790601e-06,0.0004643,0,0.0004643,MP,data/source/MP/cleaned/cifs/MP-mp-6790.cif,True,,data/final/MP/graphs/Ba1.75Cu4Sr0.25Y1O8-MP-mp-6790-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Bi1Ca0.6Cu2Pb1Sr2Y0.4O8,2,0.0133333333333333,4.0,False,Bi4Ca2.4Cu8Pb4Sr8Y1.6O32,Bi4Ca2Cu8Pb4Sr8Y2O32,79.5,Cuprate,True,Bi6.667Ca4Cu13.333Pb6.667Sr13.333Y2.667O53.333333333333336,Bi-Ca-Cu-Pb-Sr-Y-O,7,Supercon,Bi1Pb1Sr2Y0.4Ca0.6Cu2O8,MP-mp-1218870,Sr8Ca2Y2Cu8Bi4Pb4O32,Bi-Ca-Cu-Pb-Sr-Y-O,Bi6.667Ca3.333Cu13.333Pb6.667Sr13.333Y3.333O53.333333333333336,P 1 2/c 1,monoclinic,5.393147,5.46205321,31.57964053,data/final/MP/cifs/Bi1Ca0.6Cu2Pb1Sr2Y0.4O8-MP-mp-1218870-synth_doped.cif,data/source/MP/raw/cifs/mp-1218870.cif,mp-1218870,0.0,,2019-01-12 19:58:05.080000,6.504642892556258,,,,0.0174792517343735,3.51648169,520.0,-359.0010128,-5.983350213333334,{'tags': []},-359.0010128,-5.983350213333334,-2.1497632024444444,[],False,[],True,2021-05-12 11:00:42.526000,NM,60,2,mp-1218870,oxide,Sr4CaYCu4Bi2(PbO8)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Y_sv', 'Cu_pv', 'Bi', 'Pb_d', 'O'], 'pot_type': 'paw'}","{'Sr': 4.0, 'Ca': 1.0, 'Y': 1.0, 'Cu': 4.0, 'Bi': 2.0, 'Pb': 2.0, 'O': 16.0}",GGA,mp-1218870,"['mp-1218870', 'mp-1894487']",0.0660297,"{'Sr': 8.0, 'Ca': 2.0, 'Y': 2.0, 'Cu': 8.0, 'Bi': 4.0, 'Pb': 4.0, 'O': 32.0}",930.2587864724716,[],NM,False,13,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001419598523769,0.0660297,0,0.1320594,MP,data/source/MP/cleaned/cifs/MP-mp-1218870.cif,True,,data/final/MP/graphs/Bi1Ca0.6Cu2Pb1Sr2Y0.4O8-MP-mp-1218870-synth_doped.json,0,True,2/m,0,0,3,0,0,0,0,1,0,0,0,1.0,False
B2C1Fe0.16Ni1.84Tm1,3,0.0533333333333333,1.0,True,B2C1Fe0.16Ni1.84Tm1,B2C1Ni2Tm1,3.99,Other,True,B33.333C16.667Fe2.667Ni30.667Tm16.667,B-C-Fe-Ni-Tm,5,Supercon,Tm1Ni1.84Fe0.16B2C1,MP-mp-6754,Tm1Ni2B2C1,B-C-Ni-Tm,B33.333C16.667Ni33.333Tm16.667,I 4/m m m,tetragonal,3.4928639994202824,3.492863999420283,5.7937603300000005,data/final/MP/cifs/B2C1Fe0.16Ni1.84Tm1-MP-mp-6754-synth_doped.cif,data/source/MP/raw/cifs/mp-6754.cif,mp-6754,0.0,,2011-05-13 04:35:22,8.309262229712736,10.17188/1282688,"@misc{osti_1282688,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TmNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1282688"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696752'}},0.0,6.71149537,520.0,-41.76249282,-6.96041547,{'tags': []},-41.76249282,-6.96041547,-0.5234699658333332,"['xas', 'elasticity', 'bandstructure']",True,"[79577, 56652, 164574]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6754,,TmNi2B2C,"{'functional': 'PBE', 'labels': ['Tm_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Tm': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6754,"['mp-6754', 'mp-1000684', 'mp-1007145', 'mp-1412917', 'mp-1696752', 'mp-1790753', 'mp-1011888', 'mp-1590290']",0.0028138,"{'Tm': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",63.94016944835002,[],NM,False,139,0,"[0.0, -0.0, -0.0, 0.0, 0.0, 0.0]",4.40067648283752e-05,0.0028138,0,0.0028138,MP,data/source/MP/cleaned/cifs/MP-mp-6754.cif,True,,data/final/MP/graphs/B2C1Fe0.16Ni1.84Tm1-MP-mp-6754-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu1Sr2O3.01,2,0.0016638935108153,0.9967259136212624,True,Cu0.997Sr1.993O3,Cu1Sr2O3,0.0,Cuprate,True,Cu16.639Sr33.278O50.08319467554076,Cu-Sr-O,3,Supercon,Sr2Cu1O3.01,MP-mp-5456,Sr2Cu1O3,Cu-Sr-O,Cu16.667Sr33.333O50,I m m m,orthorhombic,3.5486719996916936,3.973221999464672,6.882681430000001,data/final/MP/cifs/Cu1Sr2O3.01-MP-mp-5456-synth_doped.cif,data/source/MP/raw/cifs/mp-5456.cif,mp-5456,0.0,,2011-05-13 06:08:08,5.321943242365502,10.17188/1267081,"@misc{osti_1267081,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr2CuO3 (SG:71) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1267081"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668116'}},0.0,3.61711129,520.0,-34.88196178,-5.813660296666666,"{'tags': ['Distrontium cuprate', 'Distrontium copper oxide', 'Distrontium cuprate(II)', 'High pressure experimental phase']}",-34.88196178,-5.813660296666666,-2.4368141980555555,"['xas', 'elasticity', 'bandstructure']",True,"[151807, 151808, 151812, 151809, 151810, 202993, 246686, 15127, 151811]",True,2021-05-12 10:56:22.739000,NM,6,9,mp-5456,oxide,Sr2CuO3,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Cu': 1.0, 'O': 3.0}",GGA,mp-5456,"['mp-990251', 'mp-990223', 'mp-5456', 'mp-1142034', 'mp-1440170', 'mp-1668116', 'mp-1782763', 'mp-990260', 'mp-1588501']",0.0018128,"{'Sr': 2.0, 'Cu': 1.0, 'O': 3.0}",89.48166977668829,[],NM,False,71,0,"[0, 0, 0, 0, 0, 0]",2.0258897766705173e-05,0.0018128,0,0.0018128,MP,data/source/MP/cleaned/cifs/MP-mp-5456.cif,True,,data/final/MP/graphs/Cu1Sr2O3.01-MP-mp-5456-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,1.0,False
Cu2Gd1Rh0.05Ru0.95Sr2O8,2,0.0071428571428571,2.0,False,Cu4Gd2Rh0.1Ru1.9Sr4O16,Cu4Gd2Ru2Sr4O16,34.575,Cuprate,True,Cu14.286Gd7.143Rh0.357Ru6.786Sr14.286O57.142857142857146,Cu-Gd-Rh-Ru-Sr-O,6,Supercon,Ru0.95Rh0.05Sr2Gd1Cu2O8,MP-mp-1194240,Sr4Gd2Cu4Ru2O16,Cu-Gd-Ru-Sr-O,Cu14.286Gd7.143Ru7.143Sr14.286O57.142857142857146,P 4/m b m,tetragonal,5.472451,5.472451,11.740702,data/final/MP/cifs/Cu2Gd1Rh0.05Ru0.95Sr2O8-MP-mp-1194240-synth_doped.cif,data/source/MP/raw/cifs/mp-1194240.cif,mp-1194240,0.0,,2019-01-11 23:51:58.932000,6.504561898971391,,,{'GGA': {'task_id': 'mp-1765260'}},0.0213449239285443,3.93502801,520.0,-201.55352223,-7.198340079642857,"{'tags': ['Sr2Cu2GdRuO8 orth', 'Sr2Cu2GdRuO8', 'Ruthenium distrontium gadolinium dicopper octaoxide']}",-201.55352223,-7.198340079642857,-2.268654352380952,['bandstructure'],True,[245741],True,2021-05-12 10:58:35.561000,FiM,28,6,mp-1194240,oxide,Sr2GdCu2RuO8,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Gd', 'Cu_pv', 'Ru_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Gd': 1.0, 'Cu': 2.0, 'Ru': 1.0, 'O': 8.0}",GGA,mp-1194240,"['mp-1194240', 'mp-1396976', 'mp-1659973', 'mp-1765260', 'mp-1841948', 'mp-1638264']",4.23696715,"{'Sr': 4.0, 'Gd': 2.0, 'Cu': 4.0, 'Ru': 2.0, 'O': 16.0}",351.6072554818909,[],FiM,True,127,2,"[-0.0, -0.0, -0.0, -0.0, 6.9, 6.9, 0.0, 0.0, 0.0, 0.0, -1.8, -1.8, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0241005672319991,4.23696715,4,8.4739343,MP,data/source/MP/cleaned/cifs/MP-mp-1194240.cif,True,,data/final/MP/graphs/Cu2Gd1Rh0.05Ru0.95Sr2O8-MP-mp-1194240-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ge2La3Rh2,1,0.0,4.0,False,Ge8La12Rh8,Ge8La12Rh8,3.5,Other,True,Ge28.571La42.857Rh28.571,Ge-La-Rh,3,Supercon,La3Rh2Ge2,MP-mp-1211651,La12Ge8Rh8,Ge-La-Rh,Ge28.571La42.857Rh28.571,P b c m,orthorhombic,5.775652,8.292166,13.542881,data/final/MP/cifs/Ge2La3Rh2-MP-mp-1211651.cif,data/source/MP/raw/cifs/mp-1211651.cif,mp-1211651,0.0,,2019-01-12 13:58:43.051000,7.862874068811779,,,,0.0,7.64092378,520.0,-179.91775734,-6.425634190714286,"{'tags': ['La3Ni2Ga2', 'La3Rh2Ge2']}",-179.91775734,-6.425634190714286,-0.8852495100000003,[],False,[],True,2021-05-12 11:00:28.874000,NM,28,2,mp-1211651,,La3(GeRh)2,"{'functional': 'PBE', 'labels': ['La', 'Ge_d', 'Rh_pv'], 'pot_type': 'paw'}","{'La': 3.0, 'Ge': 2.0, 'Rh': 2.0}",GGA,mp-1211651,"['mp-1211651', 'mp-1886591']",0.00073705,"{'La': 12.0, 'Ge': 8.0, 'Rh': 8.0}",648.604664794096,[],NM,False,57,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.5454498865436415e-06,0.00073705,0,0.0029482,MP,data/source/MP/cleaned/cifs/MP-mp-1211651.cif,False,,data/final/MP/graphs/Ge2La3Rh2-MP-mp-1211651.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
As1F0.12Fe1Nd1O0.88,3,0.06,2.0,False,As2F0.24Fe2Nd2O1.76,As2Fe2Nd2O2,50.0,Ferrite,True,As25F3Fe25Nd25O22,As-F-Fe-Nd-O,5,Supercon,Nd1Fe1As1F0.12O0.88,MP-mp-622621,Nd2Fe2As2O2,As-Fe-Nd-O,As25Fe25Nd25O25,P 4/n m m,tetragonal,4.074653,4.074653,9.170967,data/final/MP/cifs/As1F0.12Fe1Nd1O0.88-MP-mp-622621-synth_doped.cif,data/source/MP/raw/cifs/mp-622621.cif,mp-622621,0.0,,2014-02-16 22:28:25,6.347279619112142,10.17188/1278150,"@misc{osti_1278150,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NdFeAsO (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278150"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1677677'}},0.2809314202083302,3.74777613,520.0,-52.70842543,-6.58855317875,{'tags': ['Neodymium iron arsenic oxide (1/1/1/1)']},-52.70842543,-6.58855317875,-1.61299541125,"['xas', 'bandstructure']",True,"[163547, 164679, 422001, 163546, 236651, 236650, 602466, 164680, 164676]",True,2021-05-12 10:57:28.836000,FM,8,8,mp-622621,oxide,NdFeAsO,"{'functional': 'PBE', 'labels': ['Nd_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Nd': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-622621,"['mp-622621', 'mp-1079381', 'mp-1173401', 'mp-1438697', 'mp-1677677', 'mp-1772072', 'mp-1926310', 'mp-1592869']",3.83954265,"{'Nd': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",152.26370404041757,[],FM,True,129,1,"[0.0, 0.0, 3.6, 3.6, -0.0, -0.0, -0.0, -0.0]",0.0504328024094411,3.83954265,2,7.6790853,MP,data/source/MP/cleaned/cifs/MP-mp-622621.cif,True,,data/final/MP/graphs/As1F0.12Fe1Nd1O0.88-MP-mp-622621-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Mn1U6,1,0.0,2.0,False,Mn2U12,Mn2U12,2.4525,Heavy_fermion,True,Mn14.286U85.714,Mn-U,2,Supercon,Mn1U6,MP-mp-568195,U12Mn2,Mn-U,Mn14.286U85.714,I 4/m c m,tetragonal,5.300885998933296,7.63661584893157,7.63661585,data/final/MP/cifs/Mn1U6-MP-mp-568195.cif,data/source/MP/raw/cifs/mp-568195.cif,mp-568195,0.0,,2014-02-24 13:36:29,18.115314511248936,,,{'GGA': {'task_id': 'mp-1670979'}},0.0365328121428571,13.77743303,520.0,-153.44768548,-10.960548962857144,{'tags': ['Manganese uranium (1/6)']},-153.44768548,-10.960548962857144,0.0266618017241394,"['xas', 'bandstructure']",True,"[150486, 643855]",True,2021-05-12 10:57:23.123000,NM,14,10,mp-568195,,U6Mn,"{'functional': 'PBE', 'labels': ['U', 'Mn_pv'], 'pot_type': 'paw'}","{'U': 6.0, 'Mn': 1.0}",GGA,mp-568195,"['mp-918547', 'mp-919575', 'mp-905337', 'mp-568195', 'mp-1104434', 'mp-1237194', 'mp-1416378', 'mp-1670979', 'mp-1876676', 'mp-1598275']",0.00442715,"{'U': 12.0, 'Mn': 2.0}",271.8986294880099,[],NM,False,140,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, -0.0]",3.2564709931318195e-05,0.00442715,0,0.0088543,MP,data/source/MP/cleaned/cifs/MP-mp-568195.cif,False,,data/final/MP/graphs/Mn1U6-MP-mp-568195.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ir0.49Mo0.51,2,0.02,4.0,False,Ir1.96Mo2.04,Ir2Mo2,1.81,Other,True,Ir49Mo51,Ir-Mo,2,Supercon,Ir0.49Mo0.51,MP-mp-11481,Mo2Ir2,Ir-Mo,Ir50Mo50,P m m a,orthorhombic,2.775346,4.463059,4.861714,data/final/MP/cifs/Ir0.49Mo0.51-MP-mp-11481-synth_doped.cif,data/source/MP/raw/cifs/mp-11481.cif,mp-11481,0.0,,2011-05-28 00:59:27,15.89165390070572,10.17188/1187873,"@misc{osti_1187873,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MoIr (SG:51) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187873"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701089'}},0.0,8.87637508,520.0,-40.68498955,-10.1712473875,{'tags': ['Iridium molybdenum (1/1)']},-40.68498955,-10.1712473875,-0.3292106624999995,"['xas', 'elasticity', 'bandstructure']",True,[104499],True,2021-05-12 10:56:10.715000,NM,4,8,mp-11481,,MoIr,"{'functional': 'PBE', 'labels': ['Mo_pv', 'Ir'], 'pot_type': 'paw'}","{'Mo': 1.0, 'Ir': 1.0}",GGA,mp-11481,"['mp-929394', 'mp-912595', 'mp-929016', 'mp-11481', 'mp-1476167', 'mp-1701089', 'mp-1792141', 'mp-1594456']",2.03e-05,"{'Mo': 2.0, 'Ir': 2.0}",60.21978062245705,[],NM,False,51,0,"[0, 0, 0, 0]",6.741970757837587e-07,2.03e-05,0,4.06e-05,MP,data/source/MP/cleaned/cifs/MP-mp-11481.cif,True,,data/final/MP/graphs/Ir0.49Mo0.51-MP-mp-11481-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Nb0.9Rh1.1,3,0.1,1.0,True,Nb0.9Rh1.1,Nb1Rh1,3.07,Other,True,Nb45Rh55,Nb-Rh,2,Supercon,Nb0.9Rh1.1,MP-mp-1963,Nb1Rh1,Nb-Rh,Nb50Rh50,P 4/m m m,tetragonal,2.879837,2.879837,3.877267,data/final/MP/cifs/Nb0.9Rh1.1-MP-mp-1963-synth_doped.cif,data/source/MP/raw/cifs/mp-1963.cif,mp-1963,0.0,,2011-05-13 04:08:05,10.111756697385587,10.17188/1194846,"@misc{osti_1194846,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NbRh (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1194846"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687603'}},0.0,6.00208314,520.0,-18.26823899,-9.134119495,{'tags': ['Niobium rhodium (1/1)']},-18.26823899,-9.134119495,-0.4013130399999998,"['xas', 'elasticity', 'bandstructure']",True,"[645280, 105213]",True,2021-05-12 10:56:14.760000,NM,2,8,mp-1963,,NbRh,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Rh_pv'], 'pot_type': 'paw'}","{'Nb': 1.0, 'Rh': 1.0}",GGA,mp-1963,"['mp-929427', 'mp-912669', 'mp-929028', 'mp-1963', 'mp-1439069', 'mp-1687603', 'mp-1790574', 'mp-1591985']",0.0050183,"{'Nb': 1.0, 'Rh': 1.0}",32.15596321937415,[],NM,False,123,0,"[0, 0]",0.0001560612557541,0.0050183,0,0.0050183,MP,data/source/MP/cleaned/cifs/MP-mp-1963.cif,True,,data/final/MP/graphs/Nb0.9Rh1.1-MP-mp-1963-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
In0.25Sb0.75,1,0.0,4.0,False,In1Sb3,In1Sb3,4.1,Other,True,In25Sb75,In-Sb,2,Supercon,In0.25Sb0.75,MP-mp-975512,In1Sb3,In-Sb,In25Sb75,F m -3 m,cubic,5.3663111400000005,5.36631114,5.36631114,data/final/MP/cifs/In0.25Sb0.75-MP-mp-975512.cif,data/source/MP/raw/cifs/mp-975512.cif,mp-975512,0.0,,2015-09-17 06:56:49,7.29569117929535,10.17188/1314811,"@misc{osti_1314811,
    author = ""Persson, Kristin"",
    title = ""Materials Data on InSb3 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1314811"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1760318'}},0.1492058374999998,7.95156511,520.0,-14.3839709,-3.595992725,{'tags': []},-14.3839709,-3.595992725,0.0446791374999997,"['xas', 'elasticity', 'bandstructure']",True,[],True,2021-05-12 10:56:35.166000,NM,4,8,mp-975512,,InSb3,"{'functional': 'PBE', 'labels': ['In_d', 'Sb'], 'pot_type': 'paw'}","{'In': 1.0, 'Sb': 3.0}",GGA,mp-975512,"['mp-975529', 'mp-975512', 'mp-975541', 'mp-1427499', 'mp-1760318', 'mp-1803758', 'mp-975553', 'mp-1616516']",0.0009518,"{'In': 1.0, 'Sb': 3.0}",109.272920852103,[],NM,False,225,0,"[0, 0, 0, 0]",8.71030070925099e-06,0.0009518,0,0.0009518,MP,data/source/MP/cleaned/cifs/MP-mp-975512.cif,False,,data/final/MP/graphs/In0.25Sb0.75-MP-mp-975512.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
C0.75Mo1,3,0.1428571428571428,1.0,True,C0.75Mo1,C1Mo1,14.7,Other,True,C42.857Mo57.143,C-Mo,2,Supercon,C0.75Mo1,MP-mp-2305,Mo1C1,C-Mo,C50Mo50,P -6 m 2,hexagonal,2.835086,2.92410600478411,2.92410507,data/final/MP/cifs/C0.75Mo1-MP-mp-2305-synth_doped.cif,data/source/MP/raw/cifs/mp-2305.cif,mp-2305,0.0,,2011-05-12 17:49:42,8.538697979393088,10.17188/1199194,"@misc{osti_1199194,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MoC (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199194"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668222'}},0.0010243049999996,8.62658168,520.0,-20.24014809,-10.120074045,{'tags': ['Molybdenum carbide (1/1)']},-20.24014809,-10.120074045,-0.0838621800000005,"['xas', 'elasticity', 'bandstructure']",True,"[77156, 618300]",True,2021-05-12 10:56:16.728000,NM,2,9,mp-2305,,MoC,"{'functional': 'PBE', 'labels': ['Mo_pv', 'C'], 'pot_type': 'paw'}","{'Mo': 1.0, 'C': 1.0}",GGA,mp-2305,"['mp-927633', 'mp-927239', 'mp-911174', 'mp-2305', 'mp-1116092', 'mp-1440368', 'mp-1668222', 'mp-1791400', 'mp-1638434']",0.0001977,"{'Mo': 1.0, 'C': 1.0}",20.99340614335182,[],NM,False,187,0,"[0, 0]",9.417242664197564e-06,0.0001977,0,0.0001977,MP,data/source/MP/cleaned/cifs/MP-mp-2305.cif,True,,data/final/MP/graphs/C0.75Mo1-MP-mp-2305-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Cu1Sr1O2.97,3,0.0840599150458305,3.367001122334456,False,Cu3.367Sr3.367O10,Cu4Sr4O10,0.0,Cuprate,True,Cu20.121Sr20.121O59.758551307847085,Cu-Sr-O,3,Supercon,Sr1Cu1O2.97,MP-mp-21129,Sr4Cu4O10,Cu-Sr-O,Cu22.222Sr22.222O55.55555555555556,P b a m,orthorhombic,3.751516,5.54653,11.037505,data/final/MP/cifs/Cu1Sr1O2.97-MP-mp-21129-synth_doped.cif,data/source/MP/raw/cifs/mp-21129.cif,mp-21129,0.0,,2014-02-23 01:45:57,5.528626503065513,10.17188/1196401,"@misc{osti_1196401,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr2Cu2O5 (SG:55) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196401"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1676516'}},0.0,2.74602041,520.0,-100.74742318,-5.597079065555556,{'tags': ['Strontium copper oxide (1/1/2.5)']},-100.74742318,-5.597079065555556,-1.9435007020370367,"['xas', 'bandstructure']",True,[82019],True,2021-05-12 10:56:57.051000,NM,18,8,mp-21129,oxide,Sr2Cu2O5,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Cu': 2.0, 'O': 5.0}",GGA,mp-21129,"['mp-939909', 'mp-937387', 'mp-916772', 'mp-21129', 'mp-1442560', 'mp-1676516', 'mp-1924111', 'mp-1609095']",0.00042595,"{'Sr': 4.0, 'Cu': 4.0, 'O': 10.0}",229.66725657524069,[],NM,False,55,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.709279296941971e-06,0.00042595,0,0.0008519,MP,data/source/MP/cleaned/cifs/MP-mp-21129.cif,True,,data/final/MP/graphs/Cu1Sr1O2.97-MP-mp-21129-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Hg1Mg3,1,0.0,2.0,False,Hg2Mg6,Hg2Mg6,0.16,Other,True,Hg25Mg75,Hg-Mg,2,Supercon,Hg1Mg3,MP-mp-1185784,Mg6Hg2,Hg-Mg,Hg25Mg75,P 63/m m c,hexagonal,5.046004,6.2829660043498325,6.28296586,data/final/MP/cifs/Hg1Mg3-MP-mp-1185784.cif,data/source/MP/raw/cifs/mp-1185784.cif,mp-1185784,0.0,,2019-01-11 13:49:32.554000,5.26546506128944,,,,0.0,3.81807418,520.0,-11.45838379,-1.43229797375,{'tags': []},-11.45838379,-1.43229797375,-0.1561678449999999,[],False,[],True,2021-05-12 10:59:52.436000,NM,8,3,mp-1185784,,Mg3Hg,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Hg'], 'pot_type': 'paw'}","{'Mg': 3.0, 'Hg': 1.0}",GGA,mp-1185784,"['mp-1185784', 'mp-1392782', 'mp-1778382']",0.00158385,"{'Mg': 6.0, 'Hg': 2.0}",172.5073596060341,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",1.836269482782808e-05,0.00158385,0,0.0031677,MP,data/source/MP/cleaned/cifs/MP-mp-1185784.cif,False,,data/final/MP/graphs/Hg1Mg3-MP-mp-1185784.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Lu1Pt2Si2,1,0.0,1.0,True,Lu1Pt2Si2,Lu1Pt2Si2,1.9,Other,True,Lu20Pt40Si40,Lu-Pt-Si,3,Supercon,Lu1Pt2Si2,MP-mp-7109,Lu1Si2Pt2,Lu-Pt-Si,Lu20Pt40Si40,I 4/m m m,tetragonal,4.182309998817344,4.182309998817344,5.70876319,data/final/MP/cifs/Lu1Pt2Si2-MP-mp-7109.cif,data/source/MP/raw/cifs/mp-7109.cif,mp-7109,0.0,,2011-05-27 17:29:42,12.07901628616569,10.17188/1286604,"@misc{osti_1286604,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Lu(SiPt)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1286604"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696822'}},0.0,7.38098008,520.0,-32.39893767,-6.479787534000001,{'tags': ['Lutetium platinum silicide (1/2/2)']},-32.39893767,-6.479787534000001,-0.9771087380000004,['bandstructure'],True,[642537],True,2021-05-12 10:58:53.520000,NM,5,9,mp-7109,,Lu(SiPt)2,"{'functional': 'PBE', 'labels': ['Lu_3', 'Si', 'Pt'], 'pot_type': 'paw'}","{'Lu': 1.0, 'Si': 2.0, 'Pt': 2.0}",GGA,mp-7109,"['mp-1008311', 'mp-1001962', 'mp-7109', 'mp-1171416', 'mp-1476124', 'mp-1696822', 'mp-1799623', 'mp-1012604', 'mp-1587146']",0.0010664,"{'Lu': 1.0, 'Si': 2.0, 'Pt': 2.0}",85.4128234345215,[],NM,False,139,0,"[0, 0, 0, 0, 0]",1.2485244687146013e-05,0.0010664,0,0.0010664,MP,data/source/MP/cleaned/cifs/MP-mp-7109.cif,False,,data/final/MP/graphs/Lu1Pt2Si2-MP-mp-7109.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cl0.7N1Zr1,3,0.1481481481481481,2.0,False,Cl1.4N2Zr2,Cl2N2Zr2,13.16666667,Other,True,Cl25.926N37.037Zr37.037,Cl-N-Zr,3,Supercon,Zr1N1Cl0.7,MP-mp-568592,Zr2N2Cl2,Cl-N-Zr,Cl33.333N33.333Zr33.333,R -3 m,trigonal,3.645830270497761,3.6458302704977608,9.89271338,data/final/MP/cifs/Cl0.7N1Zr1-MP-mp-568592-synth_doped.cif,data/source/MP/raw/cifs/mp-568592.cif,mp-568592,1.7555999999999998,,2013-09-22 18:10:04,4.198985265079451,10.17188/1274532,"@misc{osti_1274532,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrNCl (SG:166) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1274532"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1758958'}},0.0,2.42682469,520.0,-48.05775582,-8.00962597,{'tags': []},-48.05775582,-8.00962597,-2.0903818983333338,"['xas', 'elasticity', 'bandstructure']",True,[151469],True,2021-05-12 10:56:22.739000,NM,6,8,mp-568592,,ZrNCl,"{'functional': 'PBE', 'labels': ['Zr_sv', 'N', 'Cl'], 'pot_type': 'paw'}","{'Zr': 1.0, 'N': 1.0, 'Cl': 1.0}",GGA,mp-568592,"['mp-655558', 'mp-655567', 'mp-658590', 'mp-568592', 'mp-1404647', 'mp-1758958', 'mp-1803879', 'mp-1625484']",1.955e-05,"{'Zr': 2.0, 'N': 2.0, 'Cl': 2.0}",111.27011177040367,[],NM,False,166,0,"[0, 0, 0, 0, 0, 0]",3.513971485952984e-07,1.955e-05,0,3.91e-05,MP,data/source/MP/cleaned/cifs/MP-mp-568592.cif,True,,data/final/MP/graphs/Cl0.7N1Zr1-MP-mp-568592-synth_doped.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
K1Nb0.02Ta0.98O3,2,0.008,1.0,True,K1Nb0.02Ta0.98O3,K1Ta1O3,0.0,Oxide,True,K20Nb0.4Ta19.6O60,K-Nb-Ta-O,4,Supercon,K1Ta0.98Nb0.02O3,MP-mp-3614,K1Ta1O3,K-Ta-O,K20Ta20O60,P m -3 m,cubic,4.030839,4.030839,4.030839,data/final/MP/cifs/K1Nb0.02Ta0.98O3-MP-mp-3614-synth_doped.cif,data/source/MP/raw/cifs/mp-3614.cif,mp-3614,2.1532,,2011-05-12 22:13:37,6.796251592212529,10.17188/1207137,"@misc{osti_1207137,
    author = ""Persson, Kristin"",
    title = ""Materials Data on KTaO3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207137"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686512'}},0.0,1.55797225,520.0,-41.13911957,-8.227823914,{'tags': ['Potassium tantalate']},-41.13911957,-8.227823914,-3.0776119956000003,"['xas', 'bandstructure', 'diel', 'phonons', 'elasticity']",True,"[39673, 184922, 56439, 181838, 56440, 39905, 280424]",True,2021-05-12 10:56:20.740000,NM,5,17,mp-3614,oxide,KTaO3,"{'functional': 'PBE', 'labels': ['K_sv', 'Ta_pv', 'O'], 'pot_type': 'paw'}","{'K': 1.0, 'Ta': 1.0, 'O': 3.0}",GGA,mp-3614,"['mp-664976', 'mp-669248', 'mp-3614', 'mp-1068712', 'mp-1068716', 'mp-1068728', 'mp-1076849', 'mp-1076850', 'mp-1076851', 'mp-1140169', 'mp-1440109', 'mp-1686512', 'mp-1782459', 'mp-1597006', 'mp-1068733', 'mp-1076852', 'mp-691387']",8.85e-05,"{'K': 1.0, 'Ta': 1.0, 'O': 3.0}",65.49171385629549,[],NM,False,221,0,"[0, 0, 0, 0, 0]",1.351315987762821e-06,8.85e-05,0,8.85e-05,MP,data/source/MP/cleaned/cifs/MP-mp-3614.cif,True,,data/final/MP/graphs/K1Nb0.02Ta0.98O3-MP-mp-3614-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B1I3,1,0.0,2.0,False,B2I6,B2I6,1.86,Other,True,B25I75,B-I,2,Supercon,B1I3,MP-mp-23189,B2I6,B-I,B25I75,P 63/m,hexagonal,7.402430002585987,7.40242963,8.834711,data/final/MP/cifs/B1I3-MP-mp-23189.cif,data/source/MP/raw/cifs/mp-23189.cif,mp-23189,0.0013999999999999,,2013-09-21 16:29:52,3.1014613139434752,10.17188/1199310,"@misc{osti_1199310,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BI3 (SG:176) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199310"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697720'}},0.0,-0.75012162,520.0,-23.00761804,-2.875952255,"{'tags': ['Boron iodide', 'Boron triiodide']}",-23.00761804,-2.875952255,-0.3473448510416665,"['diel', 'bandstructure', 'elasticity']",True,"[411463, 173375, 28328]",True,2021-05-12 10:56:16.728000,NM,8,9,mp-23189,,BI3,"{'functional': 'PBE', 'labels': ['B', 'I'], 'pot_type': 'paw'}","{'B': 1.0, 'I': 3.0}",GGA,mp-23189,"['mp-664960', 'mp-659476', 'mp-656325', 'mp-23189', 'mp-1140875', 'mp-1435389', 'mp-1697720', 'mp-1822497', 'mp-1597640']",0.0005194,"{'B': 2.0, 'I': 6.0}",419.2485493271348,[],NM,False,176,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.4777664744868004e-06,0.0005194,0,0.0010388,MP,data/source/MP/cleaned/cifs/MP-mp-23189.cif,False,,data/final/MP/graphs/B1I3-MP-mp-23189.json,0,True,6/m,0,3,0,0,0,0,0,1,0,0,0,1.0,False
Nb3Se4,1,0.0,2.0,False,Nb6Se8,Nb6Se8,1.9425,Chevrel,True,Nb42.857Se57.143,Nb-Se,2,Supercon,Nb3Se4,MP-mp-561,Nb6Se8,Nb-Se,Nb42.857Se57.143,P 63/m,hexagonal,3.483239,10.173810004649228,10.173810080000004,data/final/MP/cifs/Nb3Se4-MP-mp-561.cif,data/source/MP/raw/cifs/mp-561.cif,mp-561,0.0,,2011-05-15 01:29:18,6.324016540567271,10.17188/1271763,"@misc{osti_1271763,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Se4 (SG:176) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1271763"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1673472'}},0.0,4.30746629,520.0,-100.67683813,-7.191202723571428,"{'tags': ['Niobium(II/III) selenide (3/4)', 'Niobium selenide (3/4)']}",-100.67683813,-7.191202723571428,-1.134122576339285,"['xas', 'bandstructure']",True,"[43281, 602364, 16278]",True,2021-05-12 10:57:21.195000,NM,14,8,mp-561,,Nb3Se4,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Se'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Se': 4.0}",GGA,mp-561,"['mp-924960', 'mp-561', 'mp-924167', 'mp-909129', 'mp-1432702', 'mp-1673472', 'mp-1813722', 'mp-1604797']",2.71e-05,"{'Nb': 6.0, 'Se': 8.0}",312.23469231645544,[],NM,False,176,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.735873730042379e-07,2.71e-05,0,5.42e-05,MP,data/source/MP/cleaned/cifs/MP-mp-561.cif,False,,data/final/MP/graphs/Nb3Se4-MP-mp-561.json,0,True,6/m,0,3,0,0,0,0,0,1,0,0,0,1.0,False
As1Fe0.94Ni0.06Sm1O1,2,0.03,2.0,False,As2Fe1.88Ni0.12Sm2O2,As2Fe2Sm2O2,9.0,Ferrite,True,As25Fe23.5Ni1.5Sm25O25,As-Fe-Ni-Sm-O,5,Supercon,Sm1Fe0.94Ni0.06As1O1,MP-mp-20349,Sm2Fe2As2O2,As-Fe-Sm-O,As25Fe25Sm25O25,P 4/n m m,tetragonal,4.026492,4.026492,9.046755,data/final/MP/cifs/As1Fe0.94Ni0.06Sm1O1-MP-mp-20349-synth_doped.cif,data/source/MP/raw/cifs/mp-20349.cif,mp-20349,0.0,,2014-02-19 11:24:42,6.727802583283198,,,{'GGA+U': {'task_id': 'mp-1695938'}},0.3015723809374986,3.77685593,520.0,-52.73407138,-6.5917589225,{'tags': ['Samarium iron arsenic oxide (1/1/1/1)']},-52.73407138,-6.5917589225,-1.6285904237499995,"['xas', 'elasticity', 'bandstructure']",True,"[236652, 236653, 422002, 163457, 163458]",True,2021-05-12 10:56:16.728000,FM,8,10,mp-20349,oxide,SmFeAsO,"{'functional': 'PBE', 'labels': ['Sm_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sm': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-20349,"['mp-24944', 'mp-1078897', 'mp-1079866', 'mp-1173321', 'mp-20349', 'mp-1425472', 'mp-1695938', 'mp-1772503', 'mp-1789694', 'mp-1588381']",3.75729895,"{'Sm': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",146.67176231613362,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, -0.0, -0.0, -0.0, -0.0]",0.0512341147425717,3.75729895,2,7.5145979,MP,data/source/MP/cleaned/cifs/MP-mp-20349.cif,True,,data/final/MP/graphs/As1Fe0.94Ni0.06Sm1O1-MP-mp-20349-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ba2Cu2Eu2Ti2O11,1,0.0,1.0,True,Ba2Cu2Eu2Ti2O11,Ba2Cu2Eu2Ti2O11,0.0,Cuprate,True,Ba10.526Cu10.526Eu10.526Ti10.526O57.89473684210527,Ba-Cu-Eu-Ti-O,5,Supercon,Eu2Ba2Cu2Ti2O11,MP-mp-616471,Ba2Eu2Ti2Cu2O11,Ba-Cu-Eu-Ti-O,Ba10.526Cu10.526Eu10.526Ti10.526O57.89473684210527,P 4/m m m,tetragonal,3.924628,3.924628,15.95445,data/final/MP/cifs/Ba2Cu2Eu2Ti2O11-MP-mp-616471.cif,data/source/MP/raw/cifs/mp-616471.cif,mp-616471,0.0,,2013-06-09 06:23:14,6.604549826937788,10.17188/1277861,"@misc{osti_1277861,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Eu2Ba2Ti2Cu2O11 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277861"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1708566'}},0.0350715221052588,3.38495663,520.0,-149.49894028,-7.868365277894736,{'tags': ['Dieuropium dibarium dicopper dititanium oxide']},-149.49894028,-7.868365277894736,-2.853523328508772,"['xas', 'bandstructure']",True,[66812],True,2021-05-12 10:57:28.836000,FiM,19,5,mp-616471,oxide,Ba2Eu2Ti2Cu2O11,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Eu', 'Ti_pv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Eu': 2.0, 'Ti': 2.0, 'Cu': 2.0, 'O': 11.0}",GGA,mp-616471,"['mp-616471', 'mp-1424193', 'mp-1708566', 'mp-1875886', 'mp-1605032']",12.1709797,"{'Ba': 2.0, 'Eu': 2.0, 'Ti': 2.0, 'Cu': 2.0, 'O': 11.0}",245.74168580420056,[],FiM,True,123,3,"[0.0, 0.0, 6.3, 6.4, 0.0, 0.0, -0.1, -0.1, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0495275340045378,12.1709797,4,12.1709797,MP,data/source/MP/cleaned/cifs/MP-mp-616471.cif,False,,data/final/MP/graphs/Ba2Cu2Eu2Ti2O11-MP-mp-616471.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
C1Co0.05Mg1Ni2.95,2,0.0199999999999999,1.0,True,C1Co0.05Mg1Ni2.95,C1Mg1Ni3,7.42,Other,True,C20Co1Mg20Ni59,C-Co-Mg-Ni,4,Supercon,Mg1C1Ni2.95Co0.05,MP-mp-10700,Mg1Ni3C1,C-Mg-Ni,C20Mg20Ni60,P m -3 m,cubic,3.810209,3.810209,3.810209,data/final/MP/cifs/C1Co0.05Mg1Ni2.95-MP-mp-10700-synth_doped.cif,data/source/MP/raw/cifs/mp-10700.cif,mp-10700,0.0,,2011-05-28 10:04:44,6.376007671789427,10.17188/1187303,"@misc{osti_1187303,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MgNi3C (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187303"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1678621'}},0.0,6.64260176,520.0,-28.85099542,-5.770199084,{'tags': ['Magnesium nickel carbide (1/3/1)']},-28.85099542,-5.770199084,-0.1367049259999994,"['xas', 'elasticity', 'bandstructure']",True,[77152],True,2021-05-12 10:56:10.715000,NM,5,8,mp-10700,,MgNi3C,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Ni_pv', 'C'], 'pot_type': 'paw'}","{'Mg': 1.0, 'Ni': 3.0, 'C': 1.0}",GGA,mp-10700,"['mp-927245', 'mp-927653', 'mp-911184', 'mp-10700', 'mp-1438083', 'mp-1678621', 'mp-1791467', 'mp-1591421']",0.0387875,"{'Mg': 1.0, 'Ni': 3.0, 'C': 1.0}",55.31544309398296,[],NM,False,221,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",0.0007012056277683,0.0387875,0,0.0387875,MP,data/source/MP/cleaned/cifs/MP-mp-10700.cif,True,,data/final/MP/graphs/C1Co0.05Mg1Ni2.95-MP-mp-10700-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Pd1Se1,1,0.0,8.0,False,Pd8Se8,Pd8Se8,0.0,Other,True,Pd50Se50,Pd-Se,2,Supercon,Pd1Se1,MP-mp-21165,Pd8Se8,Pd-Se,Pd50Se50,P 42/m,tetragonal,6.844958,6.844958,7.032186,data/final/MP/cifs/Pd1Se1-MP-mp-21165.cif,data/source/MP/raw/cifs/mp-21165.cif,mp-21165,0.0,,2014-02-22 14:56:34,7.474291606601866,10.17188/1196432,"@misc{osti_1196432,
    author = ""Persson, Kristin"",
    title = ""Materials Data on PdSe (SG:84) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196432"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1669969'}},0.0,3.39423791,520.0,-74.6031473,-4.66269670625,"{'tags': ['Palladium selenide (1/1)', 'Palladium selenide']}",-74.6031473,-4.66269670625,-0.5608000624218743,"['xas', 'bandstructure']",True,"[648823, 77895]",True,2021-05-12 10:56:57.051000,NM,16,9,mp-21165,,PdSe,"{'functional': 'PBE', 'labels': ['Pd', 'Se'], 'pot_type': 'paw'}","{'Pd': 1.0, 'Se': 1.0}",GGA,mp-21165,"['mp-927727', 'mp-927275', 'mp-911241', 'mp-21165', 'mp-1188116', 'mp-1423994', 'mp-1669969', 'mp-1807890', 'mp-1608237']",5.7775e-05,"{'Pd': 8.0, 'Se': 8.0}",329.4821752947485,[],NM,False,84,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.4028072978045767e-06,5.7775e-05,0,0.0004622,MP,data/source/MP/cleaned/cifs/MP-mp-21165.cif,False,,data/final/MP/graphs/Pd1Se1-MP-mp-21165.json,0,True,4/m,0,0,0,0,3,0,0,1,0,0,0,1.0,False
Ir0.7Os0.3,3,0.1,4.0,False,Ir2.8Os1.2,Ir3Os1,0.24835,Other,True,Ir70Os30,Ir-Os,2,Supercon,Ir0.7Os0.3,MP-mp-1184761,Ir3Os1,Ir-Os,Ir75Os25,P m -3 m,cubic,3.869663,3.869663,3.869663,data/final/MP/cifs/Ir0.7Os0.3-MP-mp-1184761-synth_doped.cif,data/source/MP/raw/cifs/mp-1184761.cif,mp-1184761,0.0,,2019-01-11 13:02:26.527000,21.976455121748085,,,{'GGA': {'task_id': 'mp-1766725'}},0.0216742762499979,9.66588868,520.0,-37.65596041,-9.4139901025,{'tags': []},-37.65596041,-9.4139901025,0.0216742762499997,['bandstructure'],True,[],True,2021-05-12 10:58:27.755000,NM,4,5,mp-1184761,,Ir3Os,"{'functional': 'PBE', 'labels': ['Ir', 'Os_pv'], 'pot_type': 'paw'}","{'Ir': 3.0, 'Os': 1.0}",GGA,mp-1184761,"['mp-1184761', 'mp-1422574', 'mp-1766725', 'mp-1783126', 'mp-1585018']",0.001613,"{'Ir': 3.0, 'Os': 1.0}",57.94546267259782,[],NM,False,221,0,"[0, 0, 0, 0]",2.783651947200313e-05,0.001613,0,0.001613,MP,data/source/MP/cleaned/cifs/MP-mp-1184761.cif,True,,data/final/MP/graphs/Ir0.7Os0.3-MP-mp-1184761-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B1Rh2,1,0.0,4.0,False,B4Rh8,B4Rh8,0.0,Other,True,B33.333Rh66.667,B-Rh,2,Supercon,B1Rh2,MP-mp-21502,B4Rh8,B-Rh,B33.333Rh66.667,P n m a,orthorhombic,3.845644,5.399878,6.78834,data/final/MP/cifs/B1Rh2-MP-mp-21502.cif,data/source/MP/raw/cifs/mp-21502.cif,mp-21502,0.0,,2015-02-15 00:11:05,10.206927683437812,10.17188/1196956,"@misc{osti_1196956,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BRh2 (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196956"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1676338'}},0.0744669558333335,7.00128397,520.0,-87.94908462,-7.329090385,{'tags': ['Rhodium boride (2/1)']},-87.94908462,-7.329090385,-0.1930878813888874,"['xas', 'bandstructure']",True,[24699],True,2021-05-12 10:56:59.077000,NM,12,8,mp-21502,,BRh2,"{'functional': 'PBE', 'labels': ['B', 'Rh_pv'], 'pot_type': 'paw'}","{'B': 1.0, 'Rh': 2.0}",GGA,mp-21502,"['mp-943718', 'mp-933505', 'mp-944363', 'mp-21502', 'mp-1442502', 'mp-1676338', 'mp-1926162', 'mp-1599355']",0.000474575,"{'B': 4.0, 'Rh': 8.0}",140.9667256754271,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.3466298453798206e-05,0.000474575,0,0.0018983,MP,data/source/MP/cleaned/cifs/MP-mp-21502.cif,False,,data/final/MP/graphs/B1Rh2-MP-mp-21502.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ba2Ca0.075Cu4Y0.925O8,2,0.0099999999999999,1.0,True,Ba2Ca0.075Cu4Y0.925O8,Ba2Cu4Y1O8,83.8,Cuprate,True,Ba13.333Ca0.5Cu26.667Y6.167O53.333333333333336,Ba-Ca-Cu-Y-O,5,Supercon,Y0.925Ca0.075Ba2Cu4O8,MP-mp-6790,Ba2Y1Cu4O8,Ba-Cu-Y-O,Ba13.333Cu26.667Y6.667O53.333333333333336,C m m m,orthorhombic,3.889922,3.899603999537882,13.88942687,data/final/MP/cifs/Ba2Ca0.075Cu4Y0.925O8-MP-mp-6790-synth_doped.cif,data/source/MP/raw/cifs/mp-6790.cif,mp-6790,0.0,,2011-05-16 03:21:24,5.936250568336678,10.17188/1283441,"@misc{osti_1283441,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2Y(CuO2)4 (SG:65) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1283441"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686864'}},0.0,3.31391536,520.0,-91.58381472,-6.105587648,"{'tags': ['Yttrium barium copper oxide (1/2/4/8)', 'High pressure experimental phase']}",-91.58381472,-6.105587648,-2.0529924817777783,"['xas', 'bandstructure']",True,"[72261, 85273, 74251, 400273, 85277, 85275, 400280, 67632, 85272, 67631, 83920, 66613, 85279, 400277, 75689, 74259, 85278, 85280, 66603, 94265, 400276, 88873, 71417, 75712, 97052, 66605, 72258, 85281, 85274, 400279, 66604, 69698]",True,2021-05-12 10:57:34.594000,NM,15,10,mp-6790,oxide,Ba2Y(CuO2)4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Y_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Y': 1.0, 'Cu': 4.0, 'O': 8.0}",GGA,mp-6790,"['mp-1000664', 'mp-6790', 'mp-1007136', 'mp-1237713', 'mp-1440937', 'mp-1686864', 'mp-1834179', 'mp-1011883', 'mp-1590064', 'mp-1590433']",0.0004643,"{'Ba': 2.0, 'Y': 1.0, 'Cu': 4.0, 'O': 8.0}",208.60454115924333,[],NM,False,65,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.225742533790601e-06,0.0004643,0,0.0004643,MP,data/source/MP/cleaned/cifs/MP-mp-6790.cif,True,,data/final/MP/graphs/Ba2Ca0.075Cu4Y0.925O8-MP-mp-6790-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Be2Fe1,1,0.0,4.0,False,Be8Fe4,Be8Fe4,0.0,Other,True,Be66.667Fe33.333,Be-Fe,2,Supercon,Be2Fe1,MP-mp-2225,Be8Fe4,Be-Fe,Be66.667Fe33.333,P 63/m m c,hexagonal,4.178627996554167,4.17862713,6.803244,data/final/MP/cifs/Be2Fe1-MP-mp-2225.cif,data/source/MP/raw/cifs/mp-2225.cif,mp-2225,0.0,,2011-05-14 03:58:48,4.769353022785467,10.17188/1197461,"@misc{osti_1197461,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Be2Fe (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197461"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703768'}},0.0,4.84313323,520.0,-67.12643362,-5.593869468333334,"{'tags': ['Iron beryllide (1/2)', 'Beryllium iron (2/1)']}",-67.12643362,-5.593869468333334,-0.2775914083333338,"['bandstructure', 'elasticity']",True,"[616265, 616269, 106318]",True,2021-05-12 10:56:16.728000,FM,12,9,mp-2225,,Be2Fe,"{'functional': 'PBE', 'labels': ['Be_sv', 'Fe_pv'], 'pot_type': 'paw'}","{'Be': 2.0, 'Fe': 1.0}",GGA,mp-2225,"['mp-1008141', 'mp-1001705', 'mp-2225', 'mp-1101072', 'mp-1416972', 'mp-1703768', 'mp-1875683', 'mp-1012462', 'mp-1594147']",1.816126075,"{'Be': 8.0, 'Fe': 4.0}",102.87597849089914,[],FM,True,194,1,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.0, 2.0, 2.0, 2.0]",0.0706141939699037,1.816126075,4,7.2645043,MP,data/source/MP/cleaned/cifs/MP-mp-2225.cif,False,,data/final/MP/graphs/Be2Fe1-MP-mp-2225.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ba1.9Cu3La0.1Y1O8,2,0.0142857142857142,1.0,True,Ba1.9Cu3La0.1Y1O8,Ba2Cu3Y1O8,64.0,Cuprate,True,Ba13.571Cu21.429La0.714Y7.143O57.142857142857146,Ba-Cu-La-Y-O,5,Supercon,Y1Ba1.9La0.1Cu3O8,MP-mp-1214613,Ba2Y1Cu3O8,Ba-Cu-Y-O,Ba14.286Cu21.429Y7.143O57.142857142857146,P 4/m m m,tetragonal,3.932406,3.932406,11.573962,data/final/MP/cifs/Ba1.9Cu3La0.1Y1O8-MP-mp-1214613-synth_doped.cif,data/source/MP/raw/cifs/mp-1214613.cif,mp-1214613,0.0,,2019-01-12 16:25:38.240000,6.329328487189552,,,{'GGA': {'task_id': 'mp-1736733'}},0.0648453272704143,3.15422196,520.0,-85.42288092,-6.101634351428571,"{'tags': ['Ba2Cu3YO7', 'high-Tc cuprate family', 'Ba2Cu3YO7 rt', 'Ba2Cu3YO6.3', 'Ba2Cu3YO6.3 ht']}",-85.42288092,-6.101634351428571,-2.052368578333333,[],False,[],True,2021-05-12 11:00:37.845000,NM,14,4,mp-1214613,oxide,Ba2YCu3O8,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Y_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Y': 1.0, 'Cu': 3.0, 'O': 8.0}",GGA,mp-1214613,"['mp-1214613', 'mp-1392280', 'mp-1736733', 'mp-1882944']",0.0017233,"{'Ba': 2.0, 'Y': 1.0, 'Cu': 3.0, 'O': 8.0}",178.9776297407838,[],NM,False,123,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",9.628577618867137e-06,0.0017233,0,0.0017233,MP,data/source/MP/cleaned/cifs/MP-mp-1214613.cif,True,,data/final/MP/graphs/Ba1.9Cu3La0.1Y1O8-MP-mp-1214613-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ce0.8Cu2Eu1.2Ru1Sr2O10,3,0.0235294117647058,1.0,True,Ce0.8Cu2Eu1.2Ru1Sr2O10,Ce1Cu2Eu1Ru1Sr2O10,30.0,Cuprate,True,Ce4.706Cu11.765Eu7.059Ru5.882Sr11.765O58.82352941176471,Ce-Cu-Eu-Ru-Sr-O,6,Supercon,Eu1.2Ce0.8Sr2Ru1Cu2O10,MP-mp-1218883,Sr2Ce1Eu1Cu2Ru1O10,Ce-Cu-Eu-Ru-Sr-O,Ce5.882Cu11.765Eu5.882Ru5.882Sr11.765O58.82352941176471,C 1 m 1,monoclinic,3.89765054,3.89765054,14.72856415,data/final/MP/cifs/Ce0.8Cu2Eu1.2Ru1Sr2O10-MP-mp-1218883-synth_doped.cif,data/source/MP/raw/cifs/mp-1218883.cif,mp-1218883,0.0,,2019-01-12 19:58:44.354000,6.461952007932866,,,,0.0307225061764704,4.2426979,520.0,-121.19651369,-7.129206687647059,{'tags': []},-121.19651369,-7.129206687647059,-2.441763594607844,[],False,[],True,2021-05-12 11:00:42.526000,FiM,17,2,mp-1218883,oxide,Sr2CeEuCu2RuO10,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ce', 'Eu', 'Cu_pv', 'Ru_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ce': 1.0, 'Eu': 1.0, 'Cu': 2.0, 'Ru': 1.0, 'O': 10.0}",GGA,mp-1218883,"['mp-1218883', 'mp-1331028']",3.9050614,"{'Sr': 2.0, 'Ce': 1.0, 'Eu': 1.0, 'Cu': 2.0, 'Ru': 1.0, 'O': 10.0}",219.83315827706463,[],FiM,True,8,5,"[-0.0, -0.0, 0.1, 6.3, -0.1, -0.1, -1.2, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0177637506125363,3.9050614,5,3.9050614,MP,data/source/MP/cleaned/cifs/MP-mp-1218883.cif,True,,data/final/MP/graphs/Ce0.8Cu2Eu1.2Ru1Sr2O10-MP-mp-1218883-synth_doped.json,0,True,m,0,0,5,0,0,0,0,0,1,0,0,1.0,False
Ga7Pt3,1,0.0,2.0,False,Ga14Pt6,Ga14Pt6,2.9,Other,True,Ga70Pt30,Ga-Pt,2,Supercon,Ga7Pt3,MP-mp-1188512,Ga14Pt6,Ga-Pt,Ga70Pt30,I m -3 m,cubic,7.687494471704198,7.687494470000001,7.687494470000001,data/final/MP/cifs/Ga7Pt3-MP-mp-1188512.cif,data/source/MP/raw/cifs/mp-1188512.cif,mp-1188512,0.0,,2019-01-11 19:29:56.117000,10.19231705295379,,,{'GGA': {'task_id': 'mp-1677222'}},0.0,4.6091791,520.0,-89.58206274,-4.479103137,"{'tags': ['Pt3Ga7', 'Platinum gallide (3/7)', 'Gallium platinum (7/3)', 'Ru3Sn7']}",-89.58206274,-4.479103137,-0.5381636082499994,['bandstructure'],True,"[635137, 180363]",True,2021-05-12 10:58:33.577000,NM,20,6,mp-1188512,,Ga7Pt3,"{'functional': 'PBE', 'labels': ['Ga_d', 'Pt'], 'pot_type': 'paw'}","{'Ga': 7.0, 'Pt': 3.0}",GGA,mp-1188512,"['mp-1188512', 'mp-1189042', 'mp-1381209', 'mp-1677222', 'mp-1841529', 'mp-1607199']",0.00253235,"{'Ga': 14.0, 'Pt': 6.0}",349.7297342556924,[],NM,False,229,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.4481754062973456e-05,0.00253235,0,0.0050647,MP,data/source/MP/cleaned/cifs/MP-mp-1188512.cif,False,,data/final/MP/graphs/Ga7Pt3-MP-mp-1188512.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,1,0,1.0,False
Bi5Th3,3,0.1071428571428571,1.6,False,Bi8Th4.8,Bi8Th6,0.0,Other,True,Bi62.5Th37.5,Bi-Th,2,Supercon,Bi5Th3,MP-mp-23270,Th6Bi8,Bi-Th,Bi57.143Th42.857,I -4 3 d,cubic,8.377685541857202,8.37768554,8.37768554,data/final/MP/cifs/Bi5Th3-MP-mp-23270-synth_doped.cif,data/source/MP/raw/cifs/mp-23270.cif,mp-23270,0.2097999999999995,,2014-02-22 09:48:14,11.240813123287747,10.17188/1199382,"@misc{osti_1199382,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Th3Bi4 (SG:220) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199382"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1709162'}},0.0,6.87556755,520.0,-84.31574317,-6.022553083571429,"{'tags': ['Thorium bismuthide (3/4)', 'Bismuth thorium (4/3)']}",-84.31574317,-6.022553083571429,-0.6223085135714287,"['xas', 'bandstructure']",True,"[58862, 617222]",True,2021-05-12 10:56:59.077000,NM,14,8,mp-23270,,Th3Bi4,"{'functional': 'PBE', 'labels': ['Th', 'Bi'], 'pot_type': 'paw'}","{'Th': 3.0, 'Bi': 4.0}",GGA,mp-23270,"['mp-928207', 'mp-912163', 'mp-23270', 'mp-1419953', 'mp-1709162', 'mp-1817672', 'mp-928751', 'mp-1608960']",0.0004489,"{'Th': 6.0, 'Bi': 8.0}",452.6372311712134,[],NM,False,220,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.983486859171778e-06,0.0004489,0,0.0008978,MP,data/source/MP/cleaned/cifs/MP-mp-23270.cif,True,,data/final/MP/graphs/Bi5Th3-MP-mp-23270-synth_doped.json,0,True,-43m,5,0,0,0,0,0,0,0,0,1,0,1.0,False
Tl0.03W1O3,3,0.0651116625310173,6.0,False,Tl0.18W6O18,Tl1W6O18,2.07,Oxide,True,Tl0.744W24.814O74.44168734491315,Tl-W-O,3,Supercon,O3Tl0.03W1,MP-mp-33436,Tl1W6O18,Tl-W-O,Tl4W24O72,P 6/m m m,hexagonal,7.520898003549059,7.52089824,7.730076,data/final/MP/cifs/Tl0.03W1O3-MP-mp-33436-synth_doped.cif,data/source/MP/raw/cifs/mp-33436.cif,mp-33436,0.0,,2014-02-19 12:04:48,6.996297633029869,10.17188/1206578,"@misc{osti_1206578,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Tl(WO3)6 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1206578"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1679260'}},0.0,2.51797199,520.0,-183.76503274,-7.3506013096,{'tags': []},-183.76503274,-7.3506013096,-2.143373307333334,"['xas', 'bandstructure']",True,[],True,2021-05-12 10:57:06.958000,FM,25,9,mp-33436,oxide,Tl(WO3)6,"{'functional': 'PBE', 'labels': ['Tl_d', 'W_pv', 'O'], 'pot_type': 'paw'}","{'Tl': 1.0, 'W': 6.0, 'O': 18.0}",GGA+U,mp-33436,"['mp-691153', 'mp-946951', 'mp-947604', 'mp-936367', 'mp-33436', 'mp-1101013', 'mp-1347104', 'mp-1679260', 'mp-1840645']",0.461621,"{'Tl': 1.0, 'W': 6.0, 'O': 18.0}",378.6638194299733,[],FM,True,191,1,"[0.0, 0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0012190787086416,0.461621,6,0.461621,MP,data/source/MP/cleaned/cifs/MP-mp-33436.cif,True,,data/final/MP/graphs/Tl0.03W1O3-MP-mp-33436-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As1Fe1Sm1O0.7,3,0.1216216216216216,2.0,False,As2Fe2Sm2O1.4,As2Fe2Sm2O2,52.1,Ferrite,True,As27.027Fe27.027Sm27.027O18.918918918918916,As-Fe-Sm-O,4,Supercon,Sm1Fe1As1O0.7,MP-mp-20349,Sm2Fe2As2O2,As-Fe-Sm-O,As25Fe25Sm25O25,P 4/n m m,tetragonal,4.026492,4.026492,9.046755,data/final/MP/cifs/As1Fe1Sm1O0.7-MP-mp-20349-synth_doped.cif,data/source/MP/raw/cifs/mp-20349.cif,mp-20349,0.0,,2014-02-19 11:24:42,6.727802583283198,,,{'GGA+U': {'task_id': 'mp-1695938'}},0.3015723809374986,3.77685593,520.0,-52.73407138,-6.5917589225,{'tags': ['Samarium iron arsenic oxide (1/1/1/1)']},-52.73407138,-6.5917589225,-1.6285904237499995,"['xas', 'elasticity', 'bandstructure']",True,"[236652, 236653, 422002, 163457, 163458]",True,2021-05-12 10:56:16.728000,FM,8,10,mp-20349,oxide,SmFeAsO,"{'functional': 'PBE', 'labels': ['Sm_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sm': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-20349,"['mp-24944', 'mp-1078897', 'mp-1079866', 'mp-1173321', 'mp-20349', 'mp-1425472', 'mp-1695938', 'mp-1772503', 'mp-1789694', 'mp-1588381']",3.75729895,"{'Sm': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",146.67176231613362,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, -0.0, -0.0, -0.0, -0.0]",0.0512341147425717,3.75729895,2,7.5145979,MP,data/source/MP/cleaned/cifs/MP-mp-20349.cif,True,,data/final/MP/graphs/As1Fe1Sm1O0.7-MP-mp-20349-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ti0.496Zr0.504,2,0.008,2.0,False,Ti0.992Zr1.008,Ti1Zr1,1.8,Other,True,Ti49.6Zr50.4,Ti-Zr,2,Supercon,Ti0.496Zr0.504,MP-mp-1215200,Zr1Ti1,Ti-Zr,Ti50Zr50,P -6 m 2,hexagonal,3.1089940029701246,3.10899419,4.920467,data/final/MP/cifs/Ti0.496Zr0.504-MP-mp-1215200-synth_doped.cif,data/source/MP/raw/cifs/mp-1215200.cif,mp-1215200,0.0,,2019-01-12 16:55:51.344000,5.607526945970661,,,{'GGA': {'task_id': 'mp-1674508'}},0.079636073333333,4.90262522,520.0,-16.2839205,-8.14196025,{'tags': []},-16.2839205,-8.14196025,0.079636073333333,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,NM,2,5,mp-1215200,,ZrTi,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Ti_pv'], 'pot_type': 'paw'}","{'Zr': 1.0, 'Ti': 1.0}",GGA,mp-1215200,"['mp-1215200', 'mp-1427113', 'mp-1674508', 'mp-1927600', 'mp-1584050']",0.0010738,"{'Zr': 1.0, 'Ti': 1.0}",41.18857413220695,[],NM,False,187,0,"[0, 0]",2.607033680149549e-05,0.0010738,0,0.0010738,MP,data/source/MP/cleaned/cifs/MP-mp-1215200.cif,True,,data/final/MP/graphs/Ti0.496Zr0.504-MP-mp-1215200-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Cu1Nd1.85Y0.15O4,2,0.0428571428571428,1.0,True,Cu1Nd1.85Y0.15O4,Cu1Nd2O4,21.0,Cuprate,True,Cu14.286Nd26.429Y2.143O57.142857142857146,Cu-Nd-Y-O,4,Supercon,Nd1.85Y0.15Cu1O4,MP-mp-4158,Nd2Cu1O4,Cu-Nd-O,Cu14.286Nd28.571O57.142857142857146,I 4/m m m,tetragonal,3.973854000245551,3.973854000245551,6.78296857,data/final/MP/cifs/Cu1Nd1.85Y0.15O4-MP-mp-4158-synth_doped.cif,data/source/MP/raw/cifs/mp-4158.cif,mp-4158,0.0,,2011-05-13 10:19:33,7.086167303782593,10.17188/1207899,"@misc{osti_1207899,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nd2CuO4 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207899"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-670050'}},0.0009497997619085,3.16510927,520.0,-51.48091453,-7.354416361428571,"{'tags': ['Dineodymium copper tetraoxide', 'Dineodymium copper oxide', 'Dineodymium cuprate', 'High pressure experimental phase']}",-51.48091453,-7.354416361428571,-2.971653917142857,"['xas', 'elasticity', 'bandstructure']",True,"[261376, 203228, 160629, 261375, 69479, 186590, 4203, 75830, 75825, 202885, 203229, 71181, 82067, 75828, 69886, 75826, 75829, 75824, 75827, 69482, 86752]",True,2021-05-12 10:56:20.740000,NM,7,11,mp-4158,oxide,Nd2CuO4,"{'functional': 'PBE', 'labels': ['Nd_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Nd': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-4158,"['mp-670050', 'mp-660368', 'mp-4158', 'mp-1078016', 'mp-1173374', 'mp-1440751', 'mp-1668619', 'mp-1797319', 'mp-1588086', 'mp-1590518', 'mp-688505']",0.0084899,"{'Nd': 2.0, 'Cu': 1.0, 'O': 4.0}",97.4899480873212,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",8.708487558528232e-05,0.0084899,0,0.0084899,MP,data/source/MP/cleaned/cifs/MP-mp-4158.cif,True,,data/final/MP/graphs/Cu1Nd1.85Y0.15O4-MP-mp-4158-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Si2Ta1,1,0.0,3.0,False,Si6Ta3,Si6Ta3,0.1725,Other,True,Si66.667Ta33.333,Si-Ta,2,Supercon,Si2Ta1,MP-mp-11192,Ta3Si6,Si-Ta,Si66.667Ta33.333,P 64 2 2,hexagonal,4.806231997264616,4.80623199,6.604105,data/final/MP/cifs/Si2Ta1-MP-mp-11192.cif,data/source/MP/raw/cifs/mp-11192.cif,mp-11192,0.0,,2011-05-28 08:24:43,8.94092445626548,10.17188/1187624,"@misc{osti_1187624,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TaSi2 (SG:181) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187624"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701846'}},0.0,9.18513832,520.0,-72.421942,-8.046882444444444,{'tags': ['Tantalum silicide (1/2)']},-72.421942,-8.046882444444444,-0.4300805544444444,"['xas', 'elasticity', 'bandstructure']",True,[96028],True,2021-05-12 10:56:10.715000,NM,9,11,mp-11192,,TaSi2,"{'functional': 'PBE', 'labels': ['Ta_pv', 'Si'], 'pot_type': 'paw'}","{'Ta': 1.0, 'Si': 2.0}",GGA,mp-11192,"['mp-1000989', 'mp-1007428', 'mp-11192', 'mp-1138706', 'mp-1146543', 'mp-1115673', 'mp-1427219', 'mp-1701846', 'mp-1880096', 'mp-1012190', 'mp-1589171']",0.0110760666666666,"{'Ta': 3.0, 'Si': 6.0}",132.1155879107719,[],NM,False,181,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0002515085503948,0.0110760666666666,0,0.0332282,MP,data/source/MP/cleaned/cifs/MP-mp-11192.cif,False,,data/final/MP/graphs/Si2Ta1-MP-mp-11192.json,0,True,622,0,4,0,0,0,0,0,1,0,0,0,0.5,False
Fe1.64K0.79Se2,3,0.1029345372460496,1.0,True,Fe1.64K0.79Se2,Fe2K1Se2,30.4,Ferrite,True,Fe37.02K17.833Se45.147,Fe-K-Se,3,Supercon,K0.79Fe1.64Se2,MP-mp-1070735,K1Fe2Se2,Fe-K-Se,Fe40K20Se40,I 4/m m m,tetragonal,3.783558000712664,3.783558000712664,7.91886339,data/final/MP/cifs/Fe1.64K0.79Se2-MP-mp-1070735-synth_doped.cif,data/source/MP/raw/cifs/mp-1070735.cif,mp-1070735,0.0,,2018-03-22 03:52:22,4.804538531009527,,,{'GGA': {'task_id': 'mp-1761650'}},0.0327827750000011,3.42423866,520.0,-27.50456218,-5.500912436,{'tags': ['Potassium iron selenide (1/2/2)']},-27.50456218,-5.500912436,-0.6812646755374999,['bandstructure'],True,[186573],True,2021-05-12 10:58:14.654000,FM,5,8,mp-1070735,,K(FeSe)2,"{'functional': 'PBE', 'labels': ['K_sv', 'Fe_pv', 'Se'], 'pot_type': 'paw'}","{'K': 1.0, 'Fe': 2.0, 'Se': 2.0}",GGA,mp-1070735,"['mp-1070735', 'mp-1070765', 'mp-1070841', 'mp-1416829', 'mp-1761650', 'mp-1797161', 'mp-1585994', 'mp-1070830']",6.0503851,"{'K': 1.0, 'Fe': 2.0, 'Se': 2.0}",106.69540665041993,[],FM,True,139,1,"[0.0, 2.8, 2.8, 0.0, 0.0]",0.0567070813069176,6.0503851,2,6.0503851,MP,data/source/MP/cleaned/cifs/MP-mp-1070735.cif,True,,data/final/MP/graphs/Fe1.64K0.79Se2-MP-mp-1070735-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba2Ca0.12Cu3Y0.88O6,2,0.02,1.0,True,Ba2Ca0.12Cu3Y0.88O6,Ba2Cu3Y1O6,0.0,Cuprate,True,Ba16.667Ca1Cu25Y7.333O50,Ba-Ca-Cu-Y-O,5,Supercon,Y0.88Ca0.12Ba2Cu3O6,MP-mp-22215,Ba2Y1Cu3O6,Ba-Cu-Y-O,Ba16.667Cu25Y8.333O50,P 4/m m m,tetragonal,3.890574,3.890574,12.12302,data/final/MP/cifs/Ba2Ca0.12Cu3Y0.88O6-MP-mp-22215-synth_doped.cif,data/source/MP/raw/cifs/mp-22215.cif,mp-22215,0.0,,2014-02-22 10:32:14,5.883747679108356,10.17188/1197430,"@misc{osti_1197430,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2Y(CuO2)3 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197430"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697120'}},0.0102308603749952,3.24358281,520.0,-74.96347692,-6.24695641,"{'tags': ['Dibarium yttrium dicopper copper(I) hexaoxide', 'Yttrium dibarium copper(I) dicopper oxide', 'Yttrium dibarium copper oxide (1/2/3/6)', 'Dibarium yttrium tricopper hexaoxide', 'Yttrium barium copper oxide (1/2/3/6)']}",-74.96347692,-6.24695641,-2.232973175555556,"['xas', 'bandstructure']",True,"[68290, 72254, 63424, 66903, 68046, 68008, 67016, 84739, 203116, 63269]",True,2021-05-12 10:56:59.077000,NM,12,11,mp-22215,oxide,Ba2Y(CuO2)3,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Y_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Y': 1.0, 'Cu': 3.0, 'O': 6.0}",GGA,mp-22215,"['mp-917350', 'mp-923178', 'mp-922392', 'mp-610585', 'mp-22215', 'mp-1182689', 'mp-1236883', 'mp-1432999', 'mp-1697120', 'mp-1830265', 'mp-1587968']",0.1132814,"{'Ba': 2.0, 'Y': 1.0, 'Cu': 3.0, 'O': 6.0}",183.5008929491185,[],NM,False,123,0,"[0.0, 0.0, 0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0006173343256232,0.1132814,0,0.1132814,MP,data/source/MP/cleaned/cifs/MP-mp-22215.cif,True,,data/final/MP/graphs/Ba2Ca0.12Cu3Y0.88O6-MP-mp-22215-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ge13Ho3Ru4,1,0.0,2.0,False,Ge26Ho6Ru8,Ge26Ho6Ru8,0.0,Other,True,Ge65Ho15Ru20,Ge-Ho-Ru,3,Supercon,Ho3Ru4Ge13,MP-mp-1202131,Ho6Ge26Ru8,Ge-Ho-Ru,Ge65Ho15Ru20,P m -3 n,cubic,9.034209,9.034209,9.034209,data/final/MP/cifs/Ge13Ho3Ru4-MP-mp-1202131.cif,data/source/MP/raw/cifs/mp-1202131.cif,mp-1202131,0.0,,2019-01-12 06:13:35.547000,8.302830006510533,,,{'GGA': {'task_id': 'mp-1681227'}},0.0156996550000005,6.3770609,520.0,-239.42948056,-5.985737014,"{'tags': ['Holmium ruthenium germanide (3/4/13)', 'Yb3Rh4Sn13', 'Ho3Ru4Ge13']}",-239.42948056,-5.985737014,-0.4385296467499998,[],False,[636675],True,2021-05-12 11:00:10.451000,NM,40,4,mp-1202131,,Ho3Ge13Ru4,"{'functional': 'PBE', 'labels': ['Ho_3', 'Ge_d', 'Ru_pv'], 'pot_type': 'paw'}","{'Ho': 3.0, 'Ge': 13.0, 'Ru': 4.0}",GGA,mp-1202131,"['mp-1202131', 'mp-1368569', 'mp-1681227', 'mp-1885649']",0.01034945,"{'Ho': 6.0, 'Ge': 26.0, 'Ru': 8.0}",737.3444239366637,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.807222693770312e-05,0.01034945,0,0.0206989,MP,data/source/MP/cleaned/cifs/MP-mp-1202131.cif,False,,data/final/MP/graphs/Ge13Ho3Ru4-MP-mp-1202131.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Pt1Sb1Te1,1,0.0,4.0,False,Pt4Sb4Te4,Pt4Sb4Te4,0.0,Other,True,Pt33.333Sb33.333Te33.333,Pt-Sb-Te,3,Supercon,Pt1Sb1Te1,MP-mp-1219487,Sb4Te4Pt4,Pt-Sb-Te,Pt33.333Sb33.333Te33.333,P 21 3,cubic,6.65008,6.65008,6.65008,data/final/MP/cifs/Pt1Sb1Te1-MP-mp-1219487.cif,data/source/MP/raw/cifs/mp-1219487.cif,mp-1219487,0.0,,2019-01-12 20:29:04.350000,10.037961526512978,,,{'GGA': {'task_id': 'mp-1737649'}},0.0,7.91761101,520.0,-58.21514992,-4.8512624933333335,{'tags': []},-58.21514992,-4.8512624933333335,-0.6081925333333338,[],False,[],True,2021-05-12 11:00:44.908000,NM,12,4,mp-1219487,,SbTePt,"{'functional': 'PBE', 'labels': ['Sb', 'Te', 'Pt'], 'pot_type': 'paw'}","{'Sb': 1.0, 'Te': 1.0, 'Pt': 1.0}",GGA,mp-1219487,"['mp-1219487', 'mp-1404416', 'mp-1737649', 'mp-1806826']",0.00102535,"{'Sb': 4.0, 'Te': 4.0, 'Pt': 4.0}",294.09023852768047,[],NM,False,198,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.3946059619431969e-05,0.00102535,0,0.0041014,MP,data/source/MP/cleaned/cifs/MP-mp-1219487.cif,False,,data/final/MP/graphs/Pt1Sb1Te1-MP-mp-1219487.json,0,True,23,1,0,0,0,0,0,0,1,0,0,0,1.0,False
Ca0.115Cu1La1.885O4,2,0.0328571428571428,1.0,True,Ca0.115Cu1La1.885O4,Cu1La2O4,23.0,Cuprate,True,Ca1.643Cu14.286La26.929O57.142857142857146,Ca-Cu-La-O,4,Supercon,La1.885Ca0.115Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ca0.115Cu1La1.885O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ca0.115Cu1La1.885O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu2Er2O5,1,0.0,4.0,False,Cu8Er8O20,Cu8Er8O20,0.0,Cuprate,True,Cu22.222Er22.222O55.55555555555556,Cu-Er-O,3,Supercon,Er2Cu2O5,MP-mp-21160,Er8Cu8O20,Cu-Er-O,Cu22.222Er22.222O55.55555555555556,P n a 21,orthorhombic,3.488752,10.846752,12.485317,data/final/MP/cifs/Cu2Er2O5-MP-mp-21160.cif,data/source/MP/raw/cifs/mp-21160.cif,mp-21160,0.4181999999999997,,2013-09-27 05:22:17,7.6141946510482414,10.17188/1196427,"@misc{osti_1196427,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Er2Cu2O5 (SG:33) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196427"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1732261'}},0.0454518124999996,3.20620787,520.0,-249.14495971,-6.920693325277778,{'tags': ['Dierbium dicopper oxide']},-249.14495971,-6.920693325277778,-2.6275093269444434,"['xas', 'bandstructure']",True,"[79430, 79588]",True,2021-05-12 10:56:59.077000,FM,36,7,mp-21160,oxide,Er2Cu2O5,"{'functional': 'PBE', 'labels': ['Er_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Er': 2.0, 'Cu': 2.0, 'O': 5.0}",GGA,mp-21160,"['mp-666214', 'mp-681700', 'mp-701666', 'mp-21160', 'mp-1404999', 'mp-1732261', 'mp-1816077']",2.0015247,"{'Er': 8.0, 'Cu': 8.0, 'O': 20.0}",472.46471804878894,[],FM,True,33,2,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.6, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0169453897701907,2.0015247,8,8.0060988,MP,data/source/MP/cleaned/cifs/MP-mp-21160.cif,False,,data/final/MP/graphs/Cu2Er2O5-MP-mp-21160.json,0,True,mm2,0,0,0,6,0,0,0,1,0,0,0,1.0,False
Mo6Se8Y1,1,0.0,1.0,True,Mo6Se8Y1,Mo6Se8Y1,6.38,Chevrel,True,Mo40Se53.333Y6.667,Mo-Se-Y,3,Supercon,Y1Mo6Se8,MP-mp-1103848,Y1Mo6Se8,Mo-Se-Y,Mo40Se53.333Y6.667,R -3,trigonal,6.78437199,6.78437199,6.78437188,data/final/MP/cifs/Mo6Se8Y1-MP-mp-1103848.cif,data/source/MP/raw/cifs/mp-1103848.cif,mp-1103848,0.0,,2018-07-18 19:43:54,6.894692738707176,,,{'GGA': {'task_id': 'mp-1673821'}},0.0525862531666652,5.32314545,520.0,-110.02128607,-7.334752404666667,{'tags': ['Yttrium molybdenum selenide (1/6/8)']},-110.02128607,-7.334752404666667,-0.9526443303611112,['bandstructure'],True,[644389],True,2021-05-12 10:58:20.361000,NM,15,5,mp-1103848,,Y(Mo3Se4)2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Mo_pv', 'Se'], 'pot_type': 'paw'}","{'Y': 1.0, 'Mo': 6.0, 'Se': 8.0}",GGA,mp-1103848,"['mp-1103848', 'mp-1419763', 'mp-1673821', 'mp-1810986', 'mp-1604091']",0.2433783,"{'Y': 1.0, 'Mo': 6.0, 'Se': 8.0}",312.1870320598789,[],NM,False,148,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0007795913186852,0.2433783,0,0.2433783,MP,data/source/MP/cleaned/cifs/MP-mp-1103848.cif,False,,data/final/MP/graphs/Mo6Se8Y1-MP-mp-1103848.json,0,True,-3,0,0,0,0,0,0,2,1,0,0,0,1.0,False
Be22Re1,1,0.0,2.0,False,Be44Re2,Be44Re2,9.51,Other,True,Be95.652Re4.348,Be-Re,2,Supercon,Be22Re1,MP-mp-569364,Be44Re2,Be-Re,Be95.652Re4.348,F d -3 m,cubic,8.13033498,8.13033498,8.13033498,data/final/MP/cifs/Be22Re1-MP-mp-569364.cif,data/source/MP/raw/cifs/mp-569364.cif,mp-569364,0.0,,2014-02-18 16:00:38,3.359981469520108,10.17188/1275060,"@misc{osti_1275060,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Be22Re (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1275060"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1729467'}},0.0,5.02493221,520.0,-192.40958206,-4.182817001304348,"{'tags': ['Rhenium beryllium (1/22)', 'Beryllium rhenium (22/1)']}",-192.40958206,-4.182817001304348,-0.0649209050000001,"['xas', 'elasticity', 'bandstructure']",True,"[150540, 616399]",True,2021-05-12 10:56:22.739000,NM,46,7,mp-569364,,Be22Re,"{'functional': 'PBE', 'labels': ['Be_sv', 'Re_pv'], 'pot_type': 'paw'}","{'Be': 22.0, 'Re': 1.0}",GGA,mp-569364,"['mp-914535', 'mp-1001401', 'mp-569364', 'mp-1384180', 'mp-1729467', 'mp-1836331', 'mp-1007840']",9.15e-05,"{'Be': 44.0, 'Re': 2.0}",380.0233840958512,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.815493142228399e-07,9.15e-05,0,0.000183,MP,data/source/MP/cleaned/cifs/MP-mp-569364.cif,False,,data/final/MP/graphs/Be22Re1-MP-mp-569364.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Pt3Sc1,1,0.0,1.0,True,Pt3Sc1,Pt3Sc1,0.0,Other,True,Pt75Sc25,Pt-Sc,2,Supercon,Pt3Sc1,MP-mp-481,Sc1Pt3,Pt-Sc,Pt75Sc25,P m -3 m,cubic,4.009359,4.009359,4.009359,data/final/MP/cifs/Pt3Sc1-MP-mp-481.cif,data/source/MP/raw/cifs/mp-481.cif,mp-481,0.0,,2011-05-12 23:10:12,16.237086859265233,10.17188/1208415,"@misc{osti_1208415,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ScPt3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208415"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671855'}},0.0,6.74664509,520.0,-28.70572707,-7.1764317675,{'tags': ['Platinum scandium (3/1)']},-28.70572707,-7.1764317675,-1.040133708749999,"['xas', 'elasticity', 'bandstructure']",True,"[105787, 105786, 649584, 649582]",True,2021-05-12 10:56:20.740000,NM,4,9,mp-481,,ScPt3,"{'functional': 'PBE', 'labels': ['Sc_sv', 'Pt'], 'pot_type': 'paw'}","{'Sc': 1.0, 'Pt': 3.0}",GGA,mp-481,"['mp-991079', 'mp-993065', 'mp-481', 'mp-1141098', 'mp-1439329', 'mp-1671855', 'mp-1794399', 'mp-994377', 'mp-1592684']",0.000829,"{'Sc': 1.0, 'Pt': 3.0}",64.45028391033506,[],NM,False,221,0,"[0, 0, 0, 0]",1.286262758986953e-05,0.000829,0,0.000829,MP,data/source/MP/cleaned/cifs/MP-mp-481.cif,False,,data/final/MP/graphs/Pt3Sc1-MP-mp-481.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
As1.3Fe2P0.7Sr1,3,0.12,1.0,True,As1.3Fe2P0.7Sr1,As1Fe2P1Sr1,28.475,Ferrite,True,As26Fe40P14Sr20,As-Fe-P-Sr,4,Supercon,Sr1Fe2As1.3P0.7,MP-mp-1218282,Sr1Fe2As1P1,As-Fe-P-Sr,As20Fe40P20Sr20,I 4 m m,tetragonal,3.881052,3.881052,6.425511370445159,data/final/MP/cifs/As1.3Fe2P0.7Sr1-MP-mp-1218282-synth_doped.cif,data/source/MP/raw/cifs/mp-1218282.cif,mp-1218282,0.0,,2019-01-12 19:28:34.996000,5.791184443906422,,,,0.0250390396666677,5.51024107,520.0,-32.10310889,-6.420621778,{'tags': []},-32.10310889,-6.420621778,-0.6802355249999998,[],False,[],True,2021-05-12 11:00:42.526000,NM,5,2,mp-1218282,,SrFe2AsP,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Fe_pv', 'As', 'P'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Fe': 2.0, 'As': 1.0, 'P': 1.0}",GGA,mp-1218282,"['mp-1218282', 'mp-1880296']",0.0041926,"{'Sr': 1.0, 'Fe': 2.0, 'As': 1.0, 'P': 1.0}",87.5132594801162,[],NM,False,107,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",4.790816871530876e-05,0.0041926,0,0.0041926,MP,data/source/MP/cleaned/cifs/MP-mp-1218282.cif,True,,data/final/MP/graphs/As1.3Fe2P0.7Sr1-MP-mp-1218282-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,0,0,1,0,1.0,False
Be16Zr1,3,0.0252100840336134,1.625,False,Be26Zr1.625,Be26Zr2,0.0,Other,True,Be94.118Zr5.882,Be-Zr,2,Supercon,Be16Zr1,MP-mp-30445,Zr2Be26,Be-Zr,Be92.857Zr7.143,F m -3 c,cubic,7.06803998,7.068039979999999,7.068039979999999,data/final/MP/cifs/Be16Zr1-MP-mp-30445-synth_doped.cif,data/source/MP/raw/cifs/mp-30445.cif,mp-30445,0.0,,2014-02-24 11:51:59,2.7717755747305075,10.17188/1204853,"@misc{osti_1204853,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrBe13 (SG:226) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204853"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671842'}},0.0,4.33702932,520.0,-119.86603832,-4.28092994,{'tags': ['Beryllium zirconium (13/1)']},-119.86603832,-4.28092994,-0.1980679489285717,"['xas', 'bandstructure']",True,"[58758, 616516]",True,2021-05-12 10:57:04.957000,NM,28,8,mp-30445,,ZrBe13,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Be_sv'], 'pot_type': 'paw'}","{'Zr': 1.0, 'Be': 13.0}",GGA,mp-30445,"['mp-928749', 'mp-912152', 'mp-928254', 'mp-30445', 'mp-1430210', 'mp-1671842', 'mp-1778003', 'mp-1607793']",0.0006228,"{'Zr': 2.0, 'Be': 26.0}",249.67898749680185,[],NM,False,226,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.9888058762492176e-06,0.0006228,0,0.0012456,MP,data/source/MP/cleaned/cifs/MP-mp-30445.cif,True,,data/final/MP/graphs/Be16Zr1-MP-mp-30445-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ga0.54Si0.46V3,2,0.02,2.0,False,Ga1.08Si0.92V6,Ga1Si1V6,7.4,Other,True,Ga13.5Si11.5V75,Ga-Si-V,3,Supercon,V3Si0.46Ga0.54,MP-mp-1216440,V6Ga1Si1,Ga-Si-V,Ga12.5Si12.5V75,P m -3,cubic,4.747019,4.747019,4.747019,data/final/MP/cifs/Ga0.54Si0.46V3-MP-mp-1216440-synth_doped.cif,data/source/MP/raw/cifs/mp-1216440.cif,mp-1216440,0.0,,2019-01-12 17:56:57.356000,6.263022625398905,,,{'GGA': {'task_id': 'mp-1752355'}},0.0012115512499999,6.46444818,520.0,-65.49539593,-8.18692449125,{'tags': []},-65.49539593,-8.18692449125,-0.3084436834374999,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,FM,8,5,mp-1216440,,V6GaSi,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d', 'Si'], 'pot_type': 'paw'}","{'V': 6.0, 'Ga': 1.0, 'Si': 1.0}",GGA,mp-1216440,"['mp-1216440', 'mp-1444194', 'mp-1752355', 'mp-1875781', 'mp-1620045']",2.0268443,"{'V': 6.0, 'Ga': 1.0, 'Si': 1.0}",106.970225166654,[],FM,True,47,1,"[0.2, 0.3, 0.3, 0.2, 0.3, 0.3, 0.0, 0.0]",0.0189477426717788,2.0268443,6,2.0268443,MP,data/source/MP/cleaned/cifs/MP-mp-1216440.cif,True,,data/final/MP/graphs/Ga0.54Si0.46V3-MP-mp-1216440-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,1,0,0,0,1.0,False
C2Pt0.7Rh0.3U2,3,0.12,1.0,True,C2Pt0.7Rh0.3U2,C2Pt1U2,0.0,Heavy_fermion,True,C40Pt14Rh6U40,C-Pt-Rh-U,4,Supercon,U2Pt0.7Rh0.3C2,MP-mp-1068685,U2Pt1C2,C-Pt-U,C40Pt20U40,I 4/m m m,tetragonal,3.523293998450595,3.523293998450595,6.73411484,data/final/MP/cifs/C2Pt0.7Rh0.3U2-MP-mp-1068685-synth_doped.cif,data/source/MP/raw/cifs/mp-1068685.cif,mp-1068685,0.0,,2018-03-21 23:31:09,14.863441200395862,,,{'GGA': {'task_id': 'mp-1678129'}},0.0,10.58963566,520.0,-48.59510218,-9.719020436,"{'tags': ['U2PtC2', 'Platinum uranium carbide (1/2/2)', 'Uranium platinum carbide (2/1/2)', 'Na2HgO2']}",-48.59510218,-9.719020436,-0.2975626099999999,['bandstructure'],True,"[618656, 618660, 618659]",True,2021-05-12 10:58:14.654000,FM,5,16,mp-1068685,,U2PtC2,"{'functional': 'PBE', 'labels': ['U', 'Pt', 'C'], 'pot_type': 'paw'}","{'U': 2.0, 'Pt': 1.0, 'C': 2.0}",GGA,mp-1068685,"['mp-1068685', 'mp-1068739', 'mp-1068893', 'mp-1070007', 'mp-1070048', 'mp-1070082', 'mp-1070138', 'mp-1070185', 'mp-1070251', 'mp-1437934', 'mp-1678129', 'mp-1798891', 'mp-1591066', 'mp-1070208', 'mp-1070148', 'mp-1068837']",2.8448974,"{'U': 2.0, 'Pt': 1.0, 'C': 2.0}",77.66342053028113,[],FM,True,139,1,"[1.3, 1.3, 0.0, 0.0, 0.0]",0.0366311112821868,2.8448974,2,2.8448974,MP,data/source/MP/cleaned/cifs/MP-mp-1068685.cif,True,,data/final/MP/graphs/C2Pt0.7Rh0.3U2-MP-mp-1068685-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ca1.825Cl2Cu1Na0.175O2,3,0.05,1.0,True,Ca1.825Cl2Cu1Na0.175O2,Ca2Cl2Cu1O2,26.0,Cuprate,True,Ca26.071Cl28.571Cu14.286Na2.5O28.571428571428573,Ca-Cl-Cu-Na-O,5,Supercon,Ca1.825Na0.175Cu1Cl2O2,MP-mp-23143,Ca2Cu1Cl2O2,Ca-Cl-Cu-O,Ca28.571Cl28.571Cu14.286O28.571428571428573,I 4/m m m,tetragonal,3.88024600076171,3.880246000761709,8.12907187,data/final/MP/cifs/Ca1.825Cl2Cu1Na0.175O2-MP-mp-23143-synth_doped.cif,data/source/MP/raw/cifs/mp-23143.cif,mp-23143,0.0,,2014-02-21 09:50:06,3.554337150605878,10.17188/1199263,"@misc{osti_1199263,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ca2Cu(ClO)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199263"",
    place = ""United States"",
    year = ""2016"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700223'}},0.0191527683333321,4.19679796,520.0,-35.95348475,-5.136212107142858,"{'tags': ['Dicalcium copper dioxide dichloride', 'Dicalcium dichlorodioxocuprate']}",-35.95348475,-5.136212107142858,-2.407440427142858,"['xas', 'elasticity', 'bandstructure']",True,"[1027, 83117, 41581]",True,2021-05-12 10:56:16.728000,NM,7,8,mp-23143,oxide,Ca2Cu(ClO)2,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Cu_pv', 'Cl', 'O'], 'pot_type': 'paw'}","{'Ca': 2.0, 'Cu': 1.0, 'Cl': 2.0, 'O': 2.0}",GGA,mp-23143,"['mp-992231', 'mp-990553', 'mp-23143', 'mp-1436301', 'mp-1700223', 'mp-1803462', 'mp-993865', 'mp-1592909']",0.0134962,"{'Ca': 2.0, 'Cu': 1.0, 'Cl': 2.0, 'O': 2.0}",115.21141865211318,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001171429026557,0.0134962,0,0.0134962,MP,data/source/MP/cleaned/cifs/MP-mp-23143.cif,True,,data/final/MP/graphs/Ca1.825Cl2Cu1Na0.175O2-MP-mp-23143-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
P3Sn4,1,0.0,1.0,True,P3Sn4,P3Sn4,1.24,Other,True,P42.857Sn57.143,P-Sn,2,Supercon,P3Sn4,MP-mp-27410,Sn4P3,P-Sn,P42.857Sn57.143,R -3 m,trigonal,4.0184017207004805,4.0184017207004805,12.18490219,data/final/MP/cifs/P3Sn4-MP-mp-27410.cif,data/source/MP/raw/cifs/mp-27410.cif,mp-27410,0.0,,2014-02-24 04:55:11,5.636037689248044,10.17188/1201633,"@misc{osti_1201633,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sn4P3 (SG:166) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201633"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688427'}},0.0,7.17098602,520.0,-32.57590635,-4.653700907142857,{'tags': ['Tin phosphide (4/3)']},-32.57590635,-4.653700907142857,-0.0425302014285711,['bandstructure'],True,[15014],True,2021-05-12 10:58:49.477000,NM,7,5,mp-27410,,Sn4P3,"{'functional': 'PBE', 'labels': ['Sn_d', 'P'], 'pot_type': 'paw'}","{'Sn': 4.0, 'P': 3.0}",GGA,mp-27410,"['mp-27410', 'mp-1300923', 'mp-1688427', 'mp-1790214', 'mp-1601453']",0.0035252,"{'Sn': 4.0, 'P': 3.0}",167.2788309603802,[],NM,False,166,0,"[0, 0, 0, 0, 0, 0, 0]",2.107379624642965e-05,0.0035252,0,0.0035252,MP,data/source/MP/cleaned/cifs/MP-mp-27410.cif,False,,data/final/MP/graphs/P3Sn4-MP-mp-27410.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Pt3Y1,1,0.0,1.0,True,Pt3Y1,Pt3Y1,0.0,Other,True,Pt75Y25,Pt-Y,2,Supercon,Pt3Y1,MP-mp-2403,Y1Pt3,Pt-Y,Pt75Y25,P m -3 m,cubic,4.130339,4.130339,4.130339,data/final/MP/cifs/Pt3Y1-MP-mp-2403.cif,data/source/MP/raw/cifs/mp-2403.cif,mp-2403,0.0,,2011-05-12 23:14:33,15.887428134182622,10.17188/1199871,"@misc{osti_1199871,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YPt3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199871"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688046'}},0.0,5.99086806,520.0,-28.55580988,-7.13895247,{'tags': ['Platinum yttrium (3/1)']},-28.55580988,-7.13895247,-0.9691539091666668,"['xas', 'elasticity', 'bandstructure']",True,"[649852, 649857, 105845, 105846]",True,2021-05-12 10:56:16.728000,NM,4,8,mp-2403,,YPt3,"{'functional': 'PBE', 'labels': ['Y_sv', 'Pt'], 'pot_type': 'paw'}","{'Y': 1.0, 'Pt': 3.0}",GGA,mp-2403,"['mp-993496', 'mp-991548', 'mp-2403', 'mp-1439581', 'mp-1688046', 'mp-1798569', 'mp-994801', 'mp-1593902']",0.003414,"{'Y': 1.0, 'Pt': 3.0}",70.46234529121016,[],NM,False,221,0,"[0, 0, 0, 0]",4.8451410265872606e-05,0.003414,0,0.003414,MP,data/source/MP/cleaned/cifs/MP-mp-2403.cif,False,,data/final/MP/graphs/Pt3Y1-MP-mp-2403.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B2C1La0.09Lu0.91Ni2,2,0.0299999999999999,1.0,True,B2C1La0.09Lu0.91Ni2,B2C1Lu1Ni2,0.0,Other,True,B33.333C16.667La1.5Lu15.167Ni33.333,B-C-La-Lu-Ni,5,Supercon,Lu0.91La0.09Ni2B2C1,MP-mp-6544,Lu1Ni2B2C1,B-C-Lu-Ni,B33.333C16.667Lu16.667Ni33.333,I 4/m m m,tetragonal,3.4660159989239463,3.4660159989239463,5.81490896,data/final/MP/cifs/B2C1La0.09Lu0.91Ni2-MP-mp-6544-synth_doped.cif,data/source/MP/raw/cifs/mp-6544.cif,mp-6544,0.0,,2011-05-13 04:17:06,8.54504130524706,10.17188/1281287,"@misc{osti_1281287,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LuNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281287"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702891'}},0.0,6.71335166,520.0,-41.78223818,-6.963706363333333,{'tags': []},-41.78223818,-6.963706363333333,-0.5192416763888884,"['xas', 'bandstructure']",True,"[75609, 83230, 79564]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6544,,LuNi2B2C,"{'functional': 'PBE', 'labels': ['Lu_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6544,"['mp-1000584', 'mp-1007055', 'mp-6544', 'mp-1441469', 'mp-1702891', 'mp-1783160', 'mp-1011794', 'mp-1588498']",0.0023161,"{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",63.34823894903922,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",3.656139520884231e-05,0.0023161,0,0.0023161,MP,data/source/MP/cleaned/cifs/MP-mp-6544.cif,True,,data/final/MP/graphs/B2C1La0.09Lu0.91Ni2-MP-mp-6544-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Mn0.3Si1V2.7,3,0.1499999999999999,2.0,False,Mn0.6Si2V5.4,Si2V6,11.9,Other,True,Mn7.5Si25V67.5,Mn-Si-V,3,Supercon,V2.7Mn0.3Si1,MP-mp-2567,V6Si2,Si-V,Si25V75,P m -3 n,cubic,4.702381,4.702381,4.702381,data/final/MP/cifs/Mn0.3Si1V2.7-MP-mp-2567-synth_doped.cif,data/source/MP/raw/cifs/mp-2567.cif,mp-2567,0.0,,2011-05-13 19:15:43,5.778142190030859,10.17188/1200874,"@misc{osti_1200874,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Si (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200874"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668672'}},0.0,7.30599425,520.0,-69.05773321,-8.63221665125,{'tags': ['Vanadium silicide (3/1)']},-69.05773321,-8.63221665125,-0.4452085937499994,"['xas', 'elasticity', 'bandstructure']",True,"[652491, 87328, 652522, 652502, 652510, 652520, 600518, 186003, 652507, 652513, 652497, 601150, 652514, 652487, 22412, 652509, 652529, 652532, 652499, 652539, 652537, 652533, 652512, 652538, 652490, 652493, 652494, 652511, 652519, 87329, 652526, 652500]",True,2021-05-12 10:56:18.721000,FM,8,13,mp-2567,,V3Si,"{'functional': 'PBE', 'labels': ['V_pv', 'Si'], 'pot_type': 'paw'}","{'V': 3.0, 'Si': 1.0}",GGA,mp-2567,"['mp-920081', 'mp-906309', 'mp-919083', 'mp-2567', 'mp-1078474', 'mp-1078852', 'mp-1138781', 'mp-1145907', 'mp-1440678', 'mp-1668672', 'mp-1795955', 'mp-1593554', 'mp-1596575']",0.8382519,"{'V': 6.0, 'Si': 2.0}",103.98086881866836,[],FM,True,131,1,"[0.2, 0.3, 0.3, 0.2, 0.3, 0.3, 0.0, 0.0]",0.0161231947669493,0.8382519,6,1.6765038,MP,data/source/MP/cleaned/cifs/MP-mp-2567.cif,True,,data/final/MP/graphs/Mn0.3Si1V2.7-MP-mp-2567-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
N1Sc1,1,0.0,1.0,True,N1Sc1,N1Sc1,0.0,Other,True,N50Sc50,N-Sc,2,Supercon,N1Sc1,MP-mp-2857,Sc1N1,N-Sc,N50Sc50,F m -3 m,cubic,3.1949276400000004,3.1949276399999995,3.19492764,data/final/MP/cifs/N1Sc1-MP-mp-2857.cif,data/source/MP/raw/cifs/mp-2857.cif,mp-2857,0.3250000000000002,,2011-05-12 17:49:06,4.245782373273551,10.17188/1202670,"@misc{osti_1202670,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ScN (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1202670"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688369'}},0.0,5.46410467,520.0,-18.49445398,-9.24722699,"{'tags': ['Scandium nitride', 'Scandium nitride - B1 (LP)', 'Scandium nitride - B1(NP)', 'Scandium nitride (1/1)']}",-18.49445398,-9.24722699,-2.093244975,"['xas', 'elasticity', 'bandstructure']",True,"[290470, 236800, 236799, 290709, 644668, 180829, 155049, 644666, 26948, 644667, 157501]",True,2021-05-12 10:56:18.721000,NM,2,25,mp-2857,,ScN,"{'functional': 'PBE', 'labels': ['Sc_sv', 'N'], 'pot_type': 'paw'}","{'Sc': 1.0, 'N': 1.0}",GGA,mp-2857,"['mp-905831', 'mp-918802', 'mp-919788', 'mp-2857', 'mp-1057143', 'mp-1057113', 'mp-1057124', 'mp-1057375', 'mp-1057403', 'mp-1057387', 'mp-1057969', 'mp-1057923', 'mp-1057941', 'mp-1058953', 'mp-1058990', 'mp-1058937', 'mp-1440773', 'mp-1688369', 'mp-1793214', 'mp-1595747', 'mp-1587388', 'mp-1058981', 'mp-1057960', 'mp-1057406', 'mp-1057140']",9.98e-05,"{'Sc': 1.0, 'N': 1.0}",23.06046614897229,[],NM,False,225,0,"[0, 0]",4.327752932455256e-06,9.98e-05,0,9.98e-05,MP,data/source/MP/cleaned/cifs/MP-mp-2857.cif,False,,data/final/MP/graphs/N1Sc1-MP-mp-2857.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Al1Lu3,1,0.0,2.0,False,Al2Lu6,Al2Lu6,0.0,Other,True,Al25Lu75,Al-Lu,2,Supercon,Al1Lu3,MP-mp-973266,Lu6Al2,Al-Lu,Al25Lu75,P 63/m m c,hexagonal,5.267555,6.65197200276937,6.65197223,data/final/MP/cifs/Al1Lu3-MP-mp-973266.cif,data/source/MP/raw/cifs/mp-973266.cif,mp-973266,0.0,,2015-09-16 06:35:58,9.079986254927556,10.17188/1314059,"@misc{osti_1314059,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Lu3Al (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1314059"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1753926'}},0.0058863328125005,3.75302435,520.0,-36.20387111,-4.52548388875,{'tags': []},-36.20387111,-4.52548388875,-0.1983770412499996,"['xas', 'elasticity', 'bandstructure']",True,[],True,2021-05-12 10:56:35.166000,NM,8,8,mp-973266,,Lu3Al,"{'functional': 'PBE', 'labels': ['Lu_3', 'Al'], 'pot_type': 'paw'}","{'Lu': 3.0, 'Al': 1.0}",GGA,mp-973266,"['mp-973324', 'mp-973291', 'mp-973266', 'mp-1257466', 'mp-1394414', 'mp-1753926', 'mp-973356', 'mp-1623773']",0.0228107,"{'Lu': 6.0, 'Al': 2.0}",201.85548519357187,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0002260102070362,0.0228107,0,0.0456214,MP,data/source/MP/cleaned/cifs/MP-mp-973266.cif,False,,data/final/MP/graphs/Al1Lu3-MP-mp-973266.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Cu2Gd1La0.06Ru1Sr1.94O8,2,0.0085714285714285,2.0,False,Cu4Gd2La0.12Ru2Sr3.88O16,Cu4Gd2Ru2Sr4O16,0.0,Cuprate,True,Cu14.286Gd7.143La0.429Ru7.143Sr13.857O57.142857142857146,Cu-Gd-La-Ru-Sr-O,6,Supercon,Ru1Sr1.94La0.06Gd1Cu2O8,MP-mp-1194240,Sr4Gd2Cu4Ru2O16,Cu-Gd-Ru-Sr-O,Cu14.286Gd7.143Ru7.143Sr14.286O57.142857142857146,P 4/m b m,tetragonal,5.472451,5.472451,11.740702,data/final/MP/cifs/Cu2Gd1La0.06Ru1Sr1.94O8-MP-mp-1194240-synth_doped.cif,data/source/MP/raw/cifs/mp-1194240.cif,mp-1194240,0.0,,2019-01-11 23:51:58.932000,6.504561898971391,,,{'GGA': {'task_id': 'mp-1765260'}},0.0213449239285443,3.93502801,520.0,-201.55352223,-7.198340079642857,"{'tags': ['Sr2Cu2GdRuO8 orth', 'Sr2Cu2GdRuO8', 'Ruthenium distrontium gadolinium dicopper octaoxide']}",-201.55352223,-7.198340079642857,-2.268654352380952,['bandstructure'],True,[245741],True,2021-05-12 10:58:35.561000,FiM,28,6,mp-1194240,oxide,Sr2GdCu2RuO8,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Gd', 'Cu_pv', 'Ru_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Gd': 1.0, 'Cu': 2.0, 'Ru': 1.0, 'O': 8.0}",GGA,mp-1194240,"['mp-1194240', 'mp-1396976', 'mp-1659973', 'mp-1765260', 'mp-1841948', 'mp-1638264']",4.23696715,"{'Sr': 4.0, 'Gd': 2.0, 'Cu': 4.0, 'Ru': 2.0, 'O': 16.0}",351.6072554818909,[],FiM,True,127,2,"[-0.0, -0.0, -0.0, -0.0, 6.9, 6.9, 0.0, 0.0, 0.0, 0.0, -1.8, -1.8, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0241005672319991,4.23696715,4,8.4739343,MP,data/source/MP/cleaned/cifs/MP-mp-1194240.cif,True,,data/final/MP/graphs/Cu2Gd1La0.06Ru1Sr1.94O8-MP-mp-1194240-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ba2Cu1Hg1Tl1O6,1,0.0,1.0,True,Ba2Cu1Hg1Tl1O6,Ba2Cu1Hg1Tl1O6,0.0,Cuprate,True,Ba18.182Cu9.091Hg9.091Tl9.091O54.54545454545455,Ba-Cu-Hg-Tl-O,5,Supercon,Hg1Tl1Ba2Cu1O6,MP-mp-1228447,Ba2Tl1Cu1Hg1O6,Ba-Cu-Hg-Tl-O,Ba18.182Cu9.091Hg9.091Tl9.091O54.54545454545455,I m m 2,orthorhombic,3.900538,4.286455,11.20673121865849,data/final/MP/cifs/Ba2Cu1Hg1Tl1O6-MP-mp-1228447.cif,data/source/MP/raw/cifs/mp-1228447.cif,mp-1228447,0.0,,2019-01-13 04:09:31.046000,7.698811606448592,,,,0.1432805637500154,2.66194418,520.0,-53.87083843,-4.897348948181818,{'tags': []},-53.87083843,-4.897348948181818,-1.6092364143939393,[],False,[],True,2021-05-12 11:00:59.151000,NM,11,2,mp-1228447,oxide,Ba2TlCuHgO6,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Tl_d', 'Cu_pv', 'Hg', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Tl': 1.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 6.0}",GGA,mp-1228447,"['mp-1228447', 'mp-1832626']",0.0046436,"{'Ba': 2.0, 'Tl': 1.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 6.0}",180.9985932361062,[],NM,False,44,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.565544801744724e-05,0.0046436,0,0.0046436,MP,data/source/MP/cleaned/cifs/MP-mp-1228447.cif,False,,data/final/MP/graphs/Ba2Cu1Hg1Tl1O6-MP-mp-1228447.json,0,True,mm2,0,0,0,6,0,0,0,0,0,1,0,1.0,False
Hf0.25Zr0.75,1,0.0,8.0,False,Hf2Zr6,Hf2Zr6,6.62,Other,True,Hf25Zr75,Hf-Zr,2,Supercon,Hf0.25Zr0.75,MP-mp-1184723,Hf2Zr6,Hf-Zr,Hf25Zr75,P 63/m m c,hexagonal,5.167623,6.451532004629963,6.45153148,data/final/MP/cifs/Hf0.25Zr0.75-MP-mp-1184723.cif,data/source/MP/raw/cifs/mp-1184723.cif,mp-1184723,0.0,,2019-01-11 13:00:41.070000,8.061688916227292,,,{'GGA': {'task_id': 'mp-1753410'}},0.0035223349999995,4.45712665,520.0,-71.1724028,-8.89655035,{'tags': []},-71.1724028,-8.89655035,0.0035223349999995,['bandstructure'],True,[],True,2021-05-12 10:58:27.755000,NM,8,5,mp-1184723,,HfZr3,"{'functional': 'PBE', 'labels': ['Hf_pv', 'Zr_sv'], 'pot_type': 'paw'}","{'Hf': 1.0, 'Zr': 3.0}",GGA,mp-1184723,"['mp-1184723', 'mp-1384346', 'mp-1753410', 'mp-1832024', 'mp-1618362']",3.985e-05,"{'Hf': 2.0, 'Zr': 6.0}",186.2718031504901,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",4.278693750315493e-07,3.985e-05,0,7.97e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1184723.cif,False,,data/final/MP/graphs/Hf0.25Zr0.75-MP-mp-1184723.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Al2.97Ga0.03Pd2U1,2,0.0099999999999999,1.0,True,Al2.97Ga0.03Pd2U1,Al3Pd2U1,1.64,Heavy_fermion,True,Al49.5Ga0.5Pd33.333U16.667,Al-Ga-Pd-U,4,Supercon,U1Pd2Al2.97Ga0.03,MP-mp-4561,U1Al3Pd2,Al-Pd-U,Al50Pd33.333U16.667,P 6/m m m,hexagonal,4.239652,5.384229999094356,5.3842309,data/final/MP/cifs/Al2.97Ga0.03Pd2U1-MP-mp-4561-synth_doped.cif,data/source/MP/raw/cifs/mp-4561.cif,mp-4561,0.0,,2011-05-12 23:59:10,8.296603403902926,10.17188/1208253,"@misc{osti_1208253,
    author = ""Persson, Kristin"",
    title = ""Materials Data on UAl3Pd2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208253"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700804'}},0.0796314472916668,8.0468212,520.0,-36.36476907,-6.060794845,"{'tags': ['Aluminium palladium uranium (3/2/1)', 'Aluminum palladium uranium (3/2/1)']}",-36.36476907,-6.060794845,-0.5794779916666665,"['xas', 'elasticity', 'bandstructure']",True,"[657574, 106242, 659234]",True,2021-05-12 10:56:20.740000,FM,6,9,mp-4561,,UAl3Pd2,"{'functional': 'PBE', 'labels': ['U', 'Al', 'Pd'], 'pot_type': 'paw'}","{'U': 1.0, 'Al': 3.0, 'Pd': 2.0}",GGA,mp-4561,"['mp-4561', 'mp-991619', 'mp-993538', 'mp-1251974', 'mp-1441898', 'mp-1700804', 'mp-1933710', 'mp-994863', 'mp-1593816']",2.2050571,"{'U': 1.0, 'Al': 3.0, 'Pd': 2.0}",106.4408038742404,[],FM,True,191,1,"[2.2, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0207162762750765,2.2050571,1,2.2050571,MP,data/source/MP/cleaned/cifs/MP-mp-4561.cif,True,,data/final/MP/graphs/Al2.97Ga0.03Pd2U1-MP-mp-4561-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
In0.04Sn0.96Te1,2,0.04,1.0,True,In0.04Sn0.96Te1,Sn1Te1,1.22,Other,True,In2Sn48Te50,In-Sn-Te,3,Supercon,Sn0.96In0.04Te1,MP-mp-1883,Sn1Te1,Sn-Te,Sn50Te50,F m -3 m,cubic,4.53766968,4.53766968,4.53766968,data/final/MP/cifs/In0.04Sn0.96Te1-MP-mp-1883-synth_doped.cif,data/source/MP/raw/cifs/mp-1883.cif,mp-1883,0.6623999999999999,,2011-05-12 18:43:07,6.19081042904143,10.17188/1193534,"@misc{osti_1193534,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SnTe (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1193534"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686906'}},0.0,6.06645058,520.0,-7.72519638,-3.86259819,"{'tags': ['Tin telluride (1/1)', 'Tin telluride']}",-7.72519638,-3.86259819,-0.4971617975000004,"['eos', 'elasticity', 'bandstructure', 'xas']",True,"[52489, 652760, 652744, 652756, 652761, 600865, 652763, 652745, 652742, 604177, 600813, 652741, 601065, 652750, 652755, 652753, 652751, 652749, 652752, 600136, 652754, 652746, 652759]",True,2021-05-12 10:56:14.760000,NM,2,9,mp-1883,,SnTe,"{'functional': 'PBE', 'labels': ['Sn_d', 'Te'], 'pot_type': 'paw'}","{'Sn': 1.0, 'Te': 1.0}",GGA,mp-1883,"['mp-663289', 'mp-655511', 'mp-657302', 'mp-1883', 'mp-1440781', 'mp-1686906', 'mp-1784332', 'mp-1596407', 'mp-1596974']",0.0,"{'Sn': 1.0, 'Te': 1.0}",66.06685541129963,[],NM,False,225,0,"[0, 0]",0.0,0.0,0,0.0,MP,data/source/MP/cleaned/cifs/MP-mp-1883.cif,True,,data/final/MP/graphs/In0.04Sn0.96Te1-MP-mp-1883-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ce0.109Cu1La1.891O4,2,0.0311428571428571,1.0,True,Ce0.109Cu1La1.891O4,Cu1La2O4,28.5,Cuprate,True,Ce1.557Cu14.286La27.014O57.142857142857146,Ce-Cu-La-O,4,Supercon,La1.891Ce0.109Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ce0.109Cu1La1.891O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ce0.109Cu1La1.891O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba0.05Sr0.95Ti1O3,2,0.02,1.0,True,Ba0.05Sr0.95Ti1O3,Sr1Ti1O3,0.525,Oxide,True,Ba1Sr19Ti20O60,Ba-Sr-Ti-O,4,Supercon,Sr0.95Ba0.05Ti1O3,MP-mp-551830,Sr2Ti2O6,Sr-Ti-O,Sr20Ti20O60,P m -3 m,cubic,3.942851452350787,3.942851452692745,3.9464989993092807,data/final/MP/cifs/Ba0.05Sr0.95Ti1O3-MP-mp-551830-synth_doped.cif,data/source/MP/raw/cifs/mp-551830.cif,mp-551830,1.7869999999999997,,2014-02-21 05:23:00,4.966121139868444,,,{'GGA': {'task_id': 'mp-1759822'}},0.0005822479999988,3.22413565,520.0,-80.25240668,-8.025240668,{'tags': []},-80.25240668,-8.025240668,-3.551666971000001,"['bandstructure', 'elasticity']",True,[],True,2021-05-12 10:56:22.739000,NM,10,4,mp-551830,oxide,SrTiO3,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ti_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Ti': 1.0, 'O': 3.0}",GGA,mp-551830,"['mp-551830', 'mp-1406736', 'mp-1759822', 'mp-1627898']",0.00106425,"{'Sr': 2.0, 'Ti': 2.0, 'O': 6.0}",122.70515928291898,[],NM,False,221,0,"[0, 0, 0, 0, 0]",1.7346458881100164e-05,0.00106425,0,0.0021285,MP,data/source/MP/cleaned/cifs/MP-mp-551830.cif,True,,data/final/MP/graphs/Ba0.05Sr0.95Ti1O3-MP-mp-551830-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B2C1Dy0.25Ni2Y0.75,3,0.0833333333333333,1.0,True,B2C1Dy0.25Ni2Y0.75,B2C1Ni2Y1,12.0,Other,True,B33.333C16.667Dy4.167Ni33.333Y12.5,B-C-Dy-Ni-Y,5,Supercon,Y0.75Dy0.25Ni2B2C1,MP-mp-6576,Y1Ni2B2C1,B-C-Ni-Y,B33.333C16.667Ni33.333Y16.667,I 4/m m m,tetragonal,3.548790000501972,3.548790000501972,5.76144136,data/final/MP/cifs/B2C1Dy0.25Ni2Y0.75-MP-mp-6576-synth_doped.cif,data/source/MP/raw/cifs/mp-6576.cif,mp-6576,0.0,,2011-05-13 05:21:43,6.099730998852292,10.17188/1281366,"@misc{osti_1281366,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281366"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688230'}},0.0,6.81083016,520.0,-43.677878,-7.279646333333333,{'tags': []},-43.677878,-7.279646333333333,-0.5109282141666659,"['xas', 'bandstructure']",True,"[75816, 89142, 83231, 79574, 41549]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6576,,YNi2B2C,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6576,"['mp-6576', 'mp-1007054', 'mp-1000583', 'mp-1439516', 'mp-1688230', 'mp-1794280', 'mp-1011792', 'mp-1597064']",0.0006603,"{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",65.3152437079014,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",1.010943177297096e-05,0.0006603,0,0.0006603,MP,data/source/MP/cleaned/cifs/MP-mp-6576.cif,True,,data/final/MP/graphs/B2C1Dy0.25Ni2Y0.75-MP-mp-6576-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
C2Cu0.2La1Ni0.8,3,0.0999999999999999,1.0,True,C2Cu0.2La1Ni0.8,C2La1Ni1,3.45,Other,True,C50Cu5La25Ni20,C-Cu-La-Ni,4,Supercon,La1Ni0.8Cu0.2C2,MP-mp-1018048,La1Ni1C2,C-La-Ni,C50La25Ni25,A m m 2,orthorhombic,3.82731293,3.82731293,3.977635,data/final/MP/cifs/C2Cu0.2La1Ni0.8-MP-mp-1018048-synth_doped.cif,data/source/MP/raw/cifs/mp-1018048.cif,mp-1018048,0.0,,2017-04-06 23:27:44,6.5955568384756855,10.17188/1350127,"@article{osti_1350127,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaNiC2 (SG:38) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1350127"",
    place = ""United States"",
    year = ""2017"",
    month = ""4""
}
",{'GGA': {'task_id': 'mp-1697101'}},0.0,8.87914765,520.0,-30.18892584,-7.54723146,"{'tags': ['LaNiC2', 'Lanthanum nickel carbide (1/1/2)', 'CeNiC2']}",-30.18892584,-7.54723146,-0.2548051637499995,"['bandstructure', 'elasticity']",True,[618179],True,2021-05-12 10:56:08.727000,NM,4,12,mp-1018048,,LaNiC2,"{'functional': 'PBE', 'labels': ['La', 'Ni_pv', 'C'], 'pot_type': 'paw'}","{'La': 1.0, 'Ni': 1.0, 'C': 2.0}",GGA,mp-1018048,"['mp-1018048', 'mp-1018270', 'mp-1018463', 'mp-1067001', 'mp-1067047', 'mp-1067181', 'mp-1115476', 'mp-1412950', 'mp-1697101', 'mp-1783297', 'mp-1594865', 'mp-1067093']",0.005804,"{'La': 1.0, 'Ni': 1.0, 'C': 2.0}",55.79651958097468,[],NM,False,38,0,"[0.0, -0.0, 0.0, 0.0]",0.0001040208250189,0.005804,0,0.005804,MP,data/source/MP/cleaned/cifs/MP-mp-1018048.cif,True,,data/final/MP/graphs/C2Cu0.2La1Ni0.8-MP-mp-1018048-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
C1Cu1K0.2Sr1.8O5,3,0.0444444444444444,2.0,False,C2Cu2K0.4Sr3.6O10,C2Cu2Sr4O10,0.0,Cuprate,True,C11.111Cu11.111K2.222Sr20O55.55555555555556,C-Cu-K-Sr-O,5,Supercon,Sr1.8K0.2Cu1C1O5,MP-mp-1147662,Sr4Cu2C2O10,C-Cu-Sr-O,C11.111Cu11.111Sr22.222O55.55555555555556,I -4 2 m,tetragonal,5.556718,5.556718,8.631809904721473,data/final/MP/cifs/C1Cu1K0.2Sr1.8O5-MP-mp-1147662-synth_doped.cif,data/source/MP/raw/cifs/mp-1147662.cif,mp-1147662,0.0,,2018-12-27 11:40:38.663000,4.629324765530757,,,,0.0444555886111093,3.36507303,520.0,-118.84575437,-6.602541909444444,{'tags': []},-118.84575437,-6.602541909444444,-2.3792330981481475,[],False,[],True,2021-05-12 10:59:37.456000,AFM,18,2,mp-1147662,oxide,Sr2CuCO5,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'C', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Cu': 1.0, 'C': 1.0, 'O': 5.0}",GGA,mp-1147662,"['mp-1147662', 'mp-1881214']",0.0031806,"{'Sr': 4.0, 'Cu': 2.0, 'C': 2.0, 'O': 10.0}",237.3114394242258,[],AFM,True,121,2,"[0.0, 0.0, 0.0, 0.0, 0.3, -0.3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.6805281765741217e-05,0.0031806,2,0.0063612,MP,data/source/MP/cleaned/cifs/MP-mp-1147662.cif,True,,data/final/MP/graphs/C1Cu1K0.2Sr1.8O5-MP-mp-1147662-synth_doped.json,0,True,-42m,0,0,0,0,6,0,0,0,0,1,0,1.0,False
Co0.98Fe0.02U1,2,0.02,4.0,False,Co3.92Fe0.08U4,Co4U4,0.0,Heavy_fermion,True,Co49Fe1U50,Co-Fe-U,3,Supercon,Co0.98Fe0.02U1,MP-mp-1080107,U4Co4,Co-U,Co50U50,I 21 3,cubic,5.46651343121184,5.466513429999999,5.466513429999999,data/final/MP/cifs/Co0.98Fe0.02U1-MP-mp-1080107-synth_doped.cif,data/source/MP/raw/cifs/mp-1080107.cif,mp-1080107,0.0,,2018-04-17 12:54:58,15.685586226920387,,,{'GGA': {'task_id': 'mp-1702457'}},0.0,11.55343047,520.0,-75.74461929,-9.46807741125,"{'tags': ['Uranium cobalt (1/1)', 'Cobalt uranium (1/1)', 'UCo', 'b.c.c. atom arrangement']}",-75.74461929,-9.46807741125,-0.2682135087500015,['bandstructure'],True,"[625521, 102712]",True,2021-05-12 10:58:16.596000,NM,8,6,mp-1080107,,UCo,"{'functional': 'PBE', 'labels': ['U', 'Co'], 'pot_type': 'paw'}","{'U': 1.0, 'Co': 1.0}",GGA,mp-1080107,"['mp-1080107', 'mp-1084836', 'mp-1432219', 'mp-1702457', 'mp-1785261', 'mp-1596640']",4.08e-05,"{'U': 4.0, 'Co': 4.0}",125.75039772653412,[],NM,False,199,0,"[0, 0, 0, 0, 0, 0, 0, 0]",1.297809016516246e-06,4.08e-05,0,0.0001632,MP,data/source/MP/cleaned/cifs/MP-mp-1080107.cif,True,,data/final/MP/graphs/Co0.98Fe0.02U1-MP-mp-1080107-synth_doped.json,0,True,23,1,0,0,0,0,0,0,0,0,1,0,1.0,False
Al0.15Ge0.85Nb3,3,0.075,8.0,False,Al1.2Ge6.8Nb24,Ge8Nb24,7.4,Other,True,Al3.75Ge21.25Nb75,Al-Ge-Nb,3,Supercon,Nb3Al0.15Ge0.85,MP-mp-1198302,Nb24Ge8,Ge-Nb,Ge25Nb75,P 42/n,tetragonal,5.306278,10.359149,10.359149,data/final/MP/cifs/Al0.15Ge0.85Nb3-MP-mp-1198302-synth_doped.cif,data/source/MP/raw/cifs/mp-1198302.cif,mp-1198302,0.0,,2019-01-12 03:06:44.296000,8.196948021040575,,,{'GGA': {'task_id': 'mp-1742625'}},0.0019252397916673,5.75996855,520.0,-289.59347082,-9.049795963125,{'tags': ['Niobium germanide (3/1)']},-289.59347082,-9.049795963125,-0.318060219374999,[],False,[637202],True,2021-05-12 11:00:03.538000,NM,32,4,mp-1198302,,Nb3Ge,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Ge_d'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Ge': 1.0}",GGA,mp-1198302,"['mp-1198302', 'mp-1395148', 'mp-1742625', 'mp-1889888']",7.45875e-05,"{'Nb': 24.0, 'Ge': 8.0}",569.4271349573957,[],NM,False,86,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.0478952676616736e-06,7.45875e-05,0,0.0005967,MP,data/source/MP/cleaned/cifs/MP-mp-1198302.cif,True,,data/final/MP/graphs/Al0.15Ge0.85Nb3-MP-mp-1198302-synth_doped.json,0,True,4/m,0,0,0,0,3,0,0,1,0,0,0,1.0,False
Ga0.31V0.69,3,0.12,8.0,False,Ga2.48V5.52,Ga2V6,15.4,Other,True,Ga31V69,Ga-V,2,Supercon,Ga0.31V0.69,MP-mp-22568,V6Ga2,Ga-V,Ga25V75,P m -3 n,cubic,4.789645,4.789645,4.789645,data/final/MP/cifs/Ga0.31V0.69-MP-mp-22568-synth_doped.cif,data/source/MP/raw/cifs/mp-22568.cif,mp-22568,0.0,,2014-02-22 11:36:40,6.726541666276222,10.17188/1198793,"@misc{osti_1198793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686867'}},0.0,5.67452231,520.0,-61.95244347,-7.74405543375,{'tags': ['Gallium vanadium (1/3)']},-61.95244347,-7.74405543375,-0.1741018756249994,"['xas', 'elasticity', 'bandstructure']",True,"[635643, 635628, 635619, 635634, 104021, 635646, 635604, 635610, 635617, 635624, 635626, 635605, 635631, 635625, 635636, 635603, 104020, 635616, 635607]",True,2021-05-12 10:56:16.728000,FM,8,9,mp-22568,,V3Ga,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ga': 1.0}",GGA,mp-22568,"['mp-941343', 'mp-941663', 'mp-934924', 'mp-22568', 'mp-1440749', 'mp-1686867', 'mp-1804076', 'mp-1593784', 'mp-1595713']",0.09063635,"{'V': 6.0, 'Ga': 2.0}",109.87780534443452,[],FM,True,131,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0, -0.0, -0.0]",0.0016497662965852,0.09063635,2,0.1812727,MP,data/source/MP/cleaned/cifs/MP-mp-22568.cif,True,,data/final/MP/graphs/Ga0.31V0.69-MP-mp-22568-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ce0.09Cu1La1.91O4,2,0.0257142857142857,1.0,True,Ce0.09Cu1La1.91O4,Cu1La2O4,20.35,Cuprate,True,Ce1.286Cu14.286La27.286O57.142857142857146,Ce-Cu-La-O,4,Supercon,La1.91Ce0.09Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ce0.09Cu1La1.91O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ce0.09Cu1La1.91O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu0.7La2Li0.3O4,3,0.0857142857142857,1.0,True,Cu0.7La2Li0.3O4,Cu1La2O4,0.0,Cuprate,True,Cu10La28.571Li4.286O57.142857142857146,Cu-La-Li-O,4,Supercon,La2Cu0.7Li0.3O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu0.7La2Li0.3O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu0.7La2Li0.3O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Re2Tb1,1,0.0,4.0,False,Re8Tb4,Re8Tb4,0.0,Other,True,Re66.667Tb33.333,Re-Tb,2,Supercon,Re2Tb1,MP-mp-1102249,Tb4Re8,Re-Tb,Re66.667Tb33.333,P 63/m m c,hexagonal,5.448209999755555,5.44820977,8.858861,data/final/MP/cifs/Re2Tb1-MP-mp-1102249.cif,data/source/MP/raw/cifs/mp-1102249.cif,mp-1102249,0.0,,2018-07-18 13:55:25,15.49761601596412,,,{'GGA': {'task_id': 'mp-1699966'}},0.0,5.64163213,520.0,-120.44283442,-10.036902868333334,"{'tags': ['TbRe2', 'MgZn2', 'Friauf-Laves phase, Frank-Kasper phase', 'Rhenium terbium (2/1)']}",-120.44283442,-10.036902868333334,-0.1957627116666659,['bandstructure'],True,"[650153, 650152, 650154]",True,2021-05-12 10:58:20.361000,NM,12,7,mp-1102249,,TbRe2,"{'functional': 'PBE', 'labels': ['Tb_3', 'Re_pv'], 'pot_type': 'paw'}","{'Tb': 1.0, 'Re': 2.0}",GGA,mp-1102249,"['mp-1102249', 'mp-1102474', 'mp-1103644', 'mp-1422188', 'mp-1699966', 'mp-1867982', 'mp-1598725']",0.0004836,"{'Tb': 4.0, 'Re': 8.0}",227.72786405031115,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",8.494349200819094e-06,0.0004836,0,0.0019344,MP,data/source/MP/cleaned/cifs/MP-mp-1102249.cif,False,,data/final/MP/graphs/Re2Tb1-MP-mp-1102249.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ga0.13Si0.87V3,3,0.065,2.0,False,Ga0.26Si1.74V6,Si2V6,13.3,Other,True,Ga3.25Si21.75V75,Ga-Si-V,3,Supercon,V3Si0.87Ga0.13,MP-mp-2567,V6Si2,Si-V,Si25V75,P m -3 n,cubic,4.702381,4.702381,4.702381,data/final/MP/cifs/Ga0.13Si0.87V3-MP-mp-2567-synth_doped.cif,data/source/MP/raw/cifs/mp-2567.cif,mp-2567,0.0,,2011-05-13 19:15:43,5.778142190030859,10.17188/1200874,"@misc{osti_1200874,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Si (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200874"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668672'}},0.0,7.30599425,520.0,-69.05773321,-8.63221665125,{'tags': ['Vanadium silicide (3/1)']},-69.05773321,-8.63221665125,-0.4452085937499994,"['xas', 'elasticity', 'bandstructure']",True,"[652491, 87328, 652522, 652502, 652510, 652520, 600518, 186003, 652507, 652513, 652497, 601150, 652514, 652487, 22412, 652509, 652529, 652532, 652499, 652539, 652537, 652533, 652512, 652538, 652490, 652493, 652494, 652511, 652519, 87329, 652526, 652500]",True,2021-05-12 10:56:18.721000,FM,8,13,mp-2567,,V3Si,"{'functional': 'PBE', 'labels': ['V_pv', 'Si'], 'pot_type': 'paw'}","{'V': 3.0, 'Si': 1.0}",GGA,mp-2567,"['mp-920081', 'mp-906309', 'mp-919083', 'mp-2567', 'mp-1078474', 'mp-1078852', 'mp-1138781', 'mp-1145907', 'mp-1440678', 'mp-1668672', 'mp-1795955', 'mp-1593554', 'mp-1596575']",0.8382519,"{'V': 6.0, 'Si': 2.0}",103.98086881866836,[],FM,True,131,1,"[0.2, 0.3, 0.3, 0.2, 0.3, 0.3, 0.0, 0.0]",0.0161231947669493,0.8382519,6,1.6765038,MP,data/source/MP/cleaned/cifs/MP-mp-2567.cif,True,,data/final/MP/graphs/Ga0.13Si0.87V3-MP-mp-2567-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Co1La2O4,1,0.0,2.0,False,Co2La4O8,Co2La4O8,0.0,Oxide,True,Co14.286La28.571O57.142857142857146,Co-La-O,3,Supercon,La2Co1O4,MP-mp-27494,La8Co4O16,Co-La-O,Co14.286La28.571O57.142857142857146,C m c a,orthorhombic,5.48754788,5.748369,6.847203800599984,data/final/MP/cifs/Co1La2O4-MP-mp-27494.cif,data/source/MP/raw/cifs/mp-27494.cif,mp-27494,0.3608000000000002,,2013-06-07 18:52:38,6.725310659368461,,,{'GGA+U': {'task_id': 'mp-1677947'}},0.0484352930357143,6.93233779,520.0,-215.94642269,-7.712372238928571,{'tags': ['Dilanthanum cobalt oxide']},-215.94642269,-7.712372238928571,-3.085775663928572,"['xas', 'bandstructure']",True,[16404],True,2021-05-12 10:57:10.838000,AFM,28,27,mp-27494,oxide,La2CoO4,"{'functional': 'PBE', 'labels': ['La', 'Co', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Co': 1.0, 'O': 4.0}",GGA+U,mp-27494,"['mp-612747', 'mp-824589', 'mp-825203', 'mp-540693', 'mp-27494', 'mp-1273691', 'mp-1294826', 'mp-1284851', 'mp-1287164', 'mp-1293932', 'mp-1277297', 'mp-1296244', 'mp-1276373', 'mp-1284269', 'mp-1292124', 'mp-1274358', 'mp-1278842', 'mp-1298858', 'mp-1284436', 'mp-1283379', 'mp-1291167', 'mp-1283471', 'mp-1281380', 'mp-1433354', 'mp-1677947', 'mp-825247', 'mp-1597969']",0.0,"{'La': 8.0, 'Co': 4.0, 'O': 16.0}",395.78680616490857,[],AFM,True,55,1,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -2.6, -2.6, 2.6, 2.6, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0,0.0,4,0.0,MP,data/source/MP/cleaned/cifs/MP-mp-27494.cif,False,,data/final/MP/graphs/Co1La2O4-MP-mp-27494.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Bi2Cu2Sr2Y1O8.51,2,0.0306898774983881,1.8800282021151584,False,Bi3.76Cu3.76Sr3.76Y1.88O16,Bi4Cu4Sr4Y2O16,0.0,Cuprate,True,Bi12.895Cu12.895Sr12.895Y6.447O54.867827208252734,Bi-Cu-Sr-Y-O,5,Supercon,Bi2Sr2Y1Cu2O8.51,MP-mp-1208863,Sr4Y2Cu4Bi4O16,Bi-Cu-Sr-Y-O,Bi13.333Cu13.333Sr13.333Y6.667O53.333333333333336,C c c m,orthorhombic,5.350205,5.505885998177413,15.59802851,data/final/MP/cifs/Bi2Cu2Sr2Y1O8.51-MP-mp-1208863-synth_doped.cif,data/source/MP/raw/cifs/mp-1208863.cif,mp-1208863,0.0,,2019-01-12 11:41:58.514000,6.881971262733002,,,{'GGA': {'task_id': 'mp-1680775'}},0.0913935707916726,5.2812548,520.0,-185.05210166,-6.1684033886666665,"{'tags': ['high-Tc cuprate family', 'Sr2(Sr0.4Y0.6)Cu2Bi2O8.7', 'Sr2.4Cu2Y0.6Bi2O8.7']}",-185.05210166,-6.1684033886666665,-2.174294854,[],False,[],True,2021-05-12 11:00:21.818000,FM,30,4,mp-1208863,oxide,Sr2YCu2(BiO4)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Y_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Y': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'O': 8.0}",GGA,mp-1208863,"['mp-1208863', 'mp-1359079', 'mp-1680775', 'mp-1819085']",0.1409948,"{'Sr': 4.0, 'Y': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'O': 16.0}",452.2677998757687,[],FM,True,66,1,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.1, 0.1, 0.1, 0.1, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0006235013858547,0.1409948,4,0.2819896,MP,data/source/MP/cleaned/cifs/MP-mp-1208863.cif,True,,data/final/MP/graphs/Bi2Cu2Sr2Y1O8.51-MP-mp-1208863-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Al2Pt1,1,0.0,1.0,True,Al2Pt1,Al2Pt1,0.343333333,Other,True,Al66.667Pt33.333,Al-Pt,2,Supercon,Al2Pt1,MP-mp-1502,Al2Pt1,Al-Pt,Al66.667Pt33.333,F m -3 m,cubic,4.20640429,4.20640429,4.20640429,data/final/MP/cifs/Al2Pt1-MP-mp-1502.cif,data/source/MP/raw/cifs/mp-1502.cif,mp-1502,0.0,,2011-05-12 17:45:30,7.858008758661247,10.17188/1190997,"@misc{osti_1190997,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Al2Pt (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1190997"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672602'}},0.0,6.71896559,520.0,-16.2441613,-5.414720433333333,{'tags': ['Aluminium platinum (2/1)']},-16.2441613,-5.414720433333333,-0.8940339766666661,"['xas', 'elasticity', 'bandstructure']",True,"[609144, 58132, 191430, 609154, 609121, 609136]",True,2021-05-12 10:56:12.755000,NM,3,13,mp-1502,,Al2Pt,"{'functional': 'PBE', 'labels': ['Al', 'Pt'], 'pot_type': 'paw'}","{'Al': 2.0, 'Pt': 1.0}",GGA,mp-1502,"['mp-927944', 'mp-927485', 'mp-911583', 'mp-1502', 'mp-1062391', 'mp-1062396', 'mp-1062404', 'mp-1254473', 'mp-1442028', 'mp-1672602', 'mp-1794648', 'mp-1593590', 'mp-1062407']",0.0004583,"{'Al': 2.0, 'Pt': 1.0}",52.62814204136904,[],NM,False,225,0,"[0, 0, 0]",8.708268660515267e-06,0.0004583,0,0.0004583,MP,data/source/MP/cleaned/cifs/MP-mp-1502.cif,False,,data/final/MP/graphs/Al2Pt1-MP-mp-1502.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
As1La0.9Ni1Sr0.1O1,2,0.0499999999999999,2.0,False,As2La1.8Ni2Sr0.2O2,As2La2Ni2O2,3.7,Ferrite,True,As25La22.5Ni25Sr2.5O25,As-La-Ni-Sr-O,5,Supercon,La0.9Sr0.1Ni1As1O1,MP-mp-1079362,La2Ni2As2O2,As-La-Ni-O,As25La25Ni25O25,P 4/n m m,tetragonal,4.17505,4.17505,8.043113,data/final/MP/cifs/As1La0.9Ni1Sr0.1O1-MP-mp-1079362-synth_doped.cif,data/source/MP/raw/cifs/mp-1079362.cif,mp-1079362,0.0,,2018-04-14 20:51:09,6.834508513823669,,,{'GGA+U': {'task_id': 'mp-1670926'}},0.4514602021279756,7.44178584,520.0,-46.79067614,-5.8488345175,{'tags': []},-46.79067614,-5.8488345175,-1.5750287187500005,['bandstructure'],True,"[163836, 246061]",True,2021-05-12 10:58:16.596000,NM,8,6,mp-1079362,oxide,LaNiAsO,"{'functional': 'PBE', 'labels': ['La', 'Ni_pv', 'As', 'O'], 'pot_type': 'paw'}","{'La': 1.0, 'Ni': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-1079362,"['mp-1079362', 'mp-1080674', 'mp-1301057', 'mp-1670926', 'mp-1925373', 'mp-1593774']",0.00017445,"{'La': 2.0, 'Ni': 2.0, 'As': 2.0, 'O': 2.0}",140.19984455541027,[],NM,False,129,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.488590490998059e-06,0.00017445,0,0.0003489,MP,data/source/MP/cleaned/cifs/MP-mp-1079362.cif,True,,data/final/MP/graphs/As1La0.9Ni1Sr0.1O1-MP-mp-1079362-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
K2Mo15Se19,1,0.0,2.0,False,K4Mo30Se38,K4Mo30Se38,2.1,Chevrel,True,K5.556Mo41.667Se52.778,K-Mo-Se,3,Supercon,K2Mo15Se19,MP-mp-1204618,K4Mo30Se38,K-Mo-Se,K5.556Mo41.667Se52.778,R -3 c,trigonal,9.90142855,9.90142855,20.3743467,data/final/MP/cifs/K2Mo15Se19-MP-mp-1204618.cif,data/source/MP/raw/cifs/mp-1204618.cif,mp-1204618,0.0,,2019-01-12 08:16:00.948000,6.035687170922158,,,,0.0376247033333347,3.88086674,520.0,-506.00501054,-7.027847368611111,{'tags': ['Potassium molybdenum selenide (2/15/19)']},-506.00501054,-7.027847368611111,-0.8511873291814235,[],False,[641257],True,2021-05-12 11:00:14.977000,NM,72,1,mp-1204618,,K2Mo15Se19,"{'functional': 'PBE', 'labels': ['K_sv', 'Mo_pv', 'Se'], 'pot_type': 'paw'}","{'K': 2.0, 'Mo': 15.0, 'Se': 19.0}",GGA,mp-1204618,['mp-1204618'],0.19152335,"{'K': 4.0, 'Mo': 30.0, 'Se': 38.0}",1660.3701508372822,[],NM,False,167,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0002306995821424,0.19152335,0,0.3830467,MP,data/source/MP/cleaned/cifs/MP-mp-1204618.cif,False,,data/final/MP/graphs/K2Mo15Se19-MP-mp-1204618.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Ba1Fe2P2,1,0.0,1.0,True,Ba1Fe2P2,Ba1Fe2P2,0.0,Ferrite,True,Ba20Fe40P40,Ba-Fe-P,3,Supercon,Ba1Fe2P2,MP-mp-4883,Ba1Fe2P2,Ba-Fe-P,Ba20Fe40P40,I 4/m m m,tetragonal,3.830012000763089,3.8300120007630896,6.74067204,data/final/MP/cifs/Ba1Fe2P2-MP-mp-4883.cif,data/source/MP/raw/cifs/mp-4883.cif,mp-4883,0.0,,2011-05-13 03:10:48,5.70275685867356,10.17188/1208463,"@misc{osti_1208463,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba(FeP)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208463"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701405'}},0.0,5.61193621,520.0,-33.7431906,-6.74863812,"{'tags': ['Barium diiron diphosphide', 'Barium diiron phosphide']}",-33.7431906,-6.74863812,-0.8115195713333335,"['xas', 'elasticity', 'bandstructure']",True,"[169745, 54408, 10468]",True,2021-05-12 10:56:20.740000,NM,5,8,mp-4883,,Ba(FeP)2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Fe_pv', 'P'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Fe': 2.0, 'P': 2.0}",GGA,mp-4883,"['mp-922604', 'mp-908191', 'mp-923388', 'mp-4883', 'mp-1412902', 'mp-1701405', 'mp-1797053', 'mp-1595119']",5.49e-05,"{'Ba': 1.0, 'Fe': 2.0, 'P': 2.0}",90.54721308051326,[],NM,False,139,0,"[0, 0, 0, 0, 0]",6.063135256430667e-07,5.49e-05,0,5.49e-05,MP,data/source/MP/cleaned/cifs/MP-mp-4883.cif,False,,data/final/MP/graphs/Ba1Fe2P2-MP-mp-4883.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2C1Er0.8Lu0.2Ni2,3,0.0666666666666666,1.0,True,B2C1Er0.8Lu0.2Ni2,B2C1Er1Ni2,10.8,Other,True,B33.333C16.667Er13.333Lu3.333Ni33.333,B-C-Er-Lu-Ni,5,Supercon,Er0.8Lu0.2Ni2B2C1,MP-mp-6098,Er1Ni2B2C1,B-C-Er-Ni,B33.333C16.667Er16.667Ni33.333,I 4/m m m,tetragonal,3.5122880026935177,3.5122880026935173,5.77805085,data/final/MP/cifs/B2C1Er0.8Lu0.2Ni2-MP-mp-6098-synth_doped.cif,data/source/MP/raw/cifs/mp-6098.cif,mp-6098,0.0,,2011-05-13 04:24:02,8.212015229638553,10.17188/1277667,"@misc{osti_1277667,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ErNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277667"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700042'}},0.0,6.72687579,520.0,-41.84324782,-6.973874636666667,{'tags': []},-41.84324782,-6.973874636666667,-0.5216152347222227,"['xas', 'elasticity', 'bandstructure']",True,"[246431, 79576, 56651]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6098,,ErNi2B2C,"{'functional': 'PBE', 'labels': ['Er_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Er': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6098,"['mp-1006980', 'mp-1000513', 'mp-6098', 'mp-1441533', 'mp-1700042', 'mp-1793903', 'mp-1011723', 'mp-1589040']",0.0020747,"{'Er': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",64.35860973581151,[],NM,False,139,0,"[0.0, -0.0, -0.0, 0.0, 0.0, 0.0]",3.2236557136900987e-05,0.0020747,0,0.0020747,MP,data/source/MP/cleaned/cifs/MP-mp-6098.cif,True,,data/final/MP/graphs/B2C1Er0.8Lu0.2Ni2-MP-mp-6098-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2Fe0.01Mg0.99,2,0.0066666666666666,1.0,True,B2Fe0.01Mg0.99,B2Mg1,34.7,Other,True,B66.667Fe0.333Mg33,B-Fe-Mg,3,Supercon,Mg0.99Fe0.01B2,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B2Fe0.01Mg0.99-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B2Fe0.01Mg0.99-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
P1Ru1Ti1,1,0.0,3.0,False,P3Ru3Ti3,P3Ru3Ti3,1.315,Other,True,P33.333Ru33.333Ti33.333,P-Ru-Ti,3,Supercon,Ti1Ru1P1,MP-mp-10739,Ti3P3Ru3,P-Ru-Ti,P33.333Ru33.333Ti33.333,P -6 2 m,hexagonal,3.673049,6.267064000771206,6.26706432,data/final/MP/cifs/P1Ru1Ti1-MP-mp-10739.cif,data/source/MP/raw/cifs/mp-10739.cif,mp-10739,0.0,,2011-05-30 00:06:20,7.173677561144605,10.17188/1187325,"@misc{osti_1187325,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TiPRu (SG:189) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187325"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704872'}},0.0,9.00349467,520.0,-76.90291554,-8.544768393333333,{'tags': ['Titanium ruthenium phosphide (1/1/1)']},-76.90291554,-8.544768393333333,-1.0170403338888891,"['xas', 'elasticity', 'bandstructure']",True,[77792],True,2021-05-12 10:56:10.715000,NM,9,9,mp-10739,,TiPRu,"{'functional': 'PBE', 'labels': ['Ti_pv', 'P', 'Ru_pv'], 'pot_type': 'paw'}","{'Ti': 1.0, 'P': 1.0, 'Ru': 1.0}",GGA,mp-10739,"['mp-1007387', 'mp-1000937', 'mp-10739', 'mp-1115648', 'mp-1418401', 'mp-1704872', 'mp-1929343', 'mp-1012147', 'mp-1596246']",0.0221564333333333,"{'Ti': 3.0, 'P': 3.0, 'Ru': 3.0}",124.93543775409418,[],NM,False,189,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0005320291919961,0.0221564333333333,0,0.0664693,MP,data/source/MP/cleaned/cifs/MP-mp-10739.cif,False,,data/final/MP/graphs/P1Ru1Ti1-MP-mp-10739.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Ru3Si2Y1,1,0.0,1.0,True,Ru3Si2Y1,Ru3Si2Y1,3.51,Other,True,Ru50Si33.333Y16.667,Ru-Si-Y,3,Supercon,Y1Ru3Si2,MP-mp-1024974,Y1Si2Ru3,Ru-Si-Y,Ru50Si33.333Y16.667,P 6/m m m,hexagonal,3.635548,5.573890002345117,5.573889710000001,data/final/MP/cifs/Ru3Si2Y1-MP-mp-1024974.cif,data/source/MP/raw/cifs/mp-1024974.cif,mp-1024974,0.0,,2016-09-26 05:09:30,7.610055520418792,10.17188/1355571,"@article{osti_1355571,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YSi2Ru3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1355571"",
    place = ""United States"",
    year = ""2017"",
    month = ""5""
}
",{'GGA': {'task_id': 'mp-1695912'}},0.0716762675000008,7.03932557,520.0,-49.15048425,-8.191747375,"{'tags': ['YRu3Si2', 'LaRu3Si2', 'Ruthenium yttrium silicide (3/1/2)']}",-49.15048425,-8.191747375,-0.6683693552777766,['bandstructure'],True,[650662],True,2021-05-12 10:58:09.072000,NM,6,8,mp-1024974,,YSi2Ru3,"{'functional': 'PBE', 'labels': ['Y_sv', 'Si', 'Ru_pv'], 'pot_type': 'paw'}","{'Y': 1.0, 'Si': 2.0, 'Ru': 3.0}",GGA,mp-1024974,"['mp-1024974', 'mp-1077529', 'mp-1172450', 'mp-1265324', 'mp-1414329', 'mp-1695912', 'mp-1796051', 'mp-1587996']",0.0611106,"{'Y': 1.0, 'Si': 2.0, 'Ru': 3.0}",97.81766052438589,[],NM,False,191,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0006247399464717,0.0611106,0,0.0611106,MP,data/source/MP/cleaned/cifs/MP-mp-1024974.cif,False,,data/final/MP/graphs/Ru3Si2Y1-MP-mp-1024974.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As1.8Fe2P0.2Sr1,3,0.0799999999999999,1.0,True,As1.8Fe2P0.2Sr1,As2Fe2Sr1,0.0,Ferrite,True,As36Fe40P4Sr20,As-Fe-P-Sr,4,Supercon,Sr1Fe2As1.8P0.2,MP-mp-4488,Sr1Fe2As2,As-Fe-Sr,As40Fe40Sr20,I 4/m m m,tetragonal,3.9729799997357778,3.9729799997357778,6.45523327,data/final/MP/cifs/As1.8Fe2P0.2Sr1-MP-mp-4488-synth_doped.cif,data/source/MP/raw/cifs/mp-4488.cif,mp-4488,0.0,,2011-05-13 03:37:13,6.319998834487784,10.17188/1208187,"@misc{osti_1208187,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208187"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672865'}},0.0,5.13397273,520.0,-30.61898897,-6.123797794,"{'tags': ['Strontium diiron arsenide - HT', 'Strontium diiron arsenide', 'Strontium diiron diarsenide', 'Iron strontium arsenide (2/1/2)', 'Strontium diiron arsenide - LT']}",-30.61898897,-6.123797794,-0.5342483613333335,"['xas', 'elasticity', 'bandstructure']",True,"[182330, 181993, 610527, 163209, 163208, 163869]",True,2021-05-12 10:56:20.740000,NM,5,8,mp-4488,,Sr(FeAs)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-4488,"['mp-906356', 'mp-920135', 'mp-919110', 'mp-4488', 'mp-1439153', 'mp-1672865', 'mp-1873948', 'mp-1592272']",0.0029206,"{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",91.7377588211838,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",3.183640016422098e-05,0.0029206,0,0.0029206,MP,data/source/MP/cleaned/cifs/MP-mp-4488.cif,True,,data/final/MP/graphs/As1.8Fe2P0.2Sr1-MP-mp-4488-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Al1Mo1.8Nb1.2,3,0.15,2.0,False,Al2Mo3.6Nb2.4,Al2Mo3Nb3,4.2,Other,True,Al25Mo45Nb30,Al-Mo-Nb,3,Supercon,Nb1.2Mo1.8Al1,MP-mp-1220636,Nb3Al2Mo3,Al-Mo-Nb,Al25Mo37.5Nb37.5,R 3 2,trigonal,5.09565044,5.09565044,5.09564994,data/final/MP/cifs/Al1Mo1.8Nb1.2-MP-mp-1220636-synth_doped.cif,data/source/MP/raw/cifs/mp-1220636.cif,mp-1220636,0.0,,2019-01-12 21:27:08.746000,7.787614395573825,,,{'GGA': {'task_id': 'mp-1754984'}},0.024551298900004,6.60798069,520.0,-72.06117606,-9.0076470075,{'tags': []},-72.06117606,-9.0076470075,-0.2161475237499992,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,8,5,mp-1220636,,Nb3Al2Mo3,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al', 'Mo_pv'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 2.0, 'Mo': 3.0}",GGA,mp-1220636,"['mp-1220636', 'mp-1410880', 'mp-1754984', 'mp-1779379', 'mp-1622334']",0.3244129,"{'Nb': 3.0, 'Al': 2.0, 'Mo': 3.0}",132.30857618709769,[],NM,False,155,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.00245194158496,0.3244129,0,0.3244129,MP,data/source/MP/cleaned/cifs/MP-mp-1220636.cif,True,,data/final/MP/graphs/Al1Mo1.8Nb1.2-MP-mp-1220636-synth_doped.json,0,True,32,0,0,0,0,0,0,4,1,0,0,0,1.0,False
C8K1,1,0.0,2.0,False,C16K2,C16K2,0.152375,Carbon,True,C88.889K11.111,C-K,2,Supercon,C8K1,MP-mp-28930,K2C16,C-K,C88.889K11.111,F d d d,orthorhombic,4.976155999702512,4.981636772091846,11.00547636443826,data/final/MP/cifs/C8K1-MP-mp-28930.cif,data/source/MP/raw/cifs/mp-28930.cif,mp-28930,0.0,,2014-02-26 00:24:54,1.949986489747616,10.17188/1203000,"@misc{osti_1203000,
    author = ""Persson, Kristin"",
    title = ""Materials Data on KC8 (SG:70) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1203000"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1708126'}},0.0,4.44843804,520.0,-150.50538646,-8.36141035888889,{'tags': ['Potassium carbon (1/8)']},-150.50538646,-8.36141035888889,-0.0364498536666673,"['xas', 'bandstructure']",True,[70020],True,2021-05-12 10:57:03.017000,NM,18,9,mp-28930,,KC8,"{'functional': 'PBE', 'labels': ['K_sv', 'C'], 'pot_type': 'paw'}","{'K': 1.0, 'C': 8.0}",GGA,mp-28930,"['mp-916481', 'mp-931769', 'mp-937202', 'mp-505211', 'mp-28930', 'mp-1426078', 'mp-1708126', 'mp-1775532', 'mp-1608630']",0.00080825,"{'K': 2.0, 'C': 16.0}",230.2355922008482,[],NM,False,70,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",7.021069090785194e-06,0.00080825,0,0.0016165,MP,data/source/MP/cleaned/cifs/MP-mp-28930.cif,False,,data/final/MP/graphs/C8K1-MP-mp-28930.json,0,True,mmm,0,0,0,7,0,0,0,0,0,0,1,1.0,False
Hf0.9Ta0.1V2,3,0.0666666666666666,2.0,False,Hf1.8Ta0.2V4,Hf2V4,9.655,Other,True,Hf30Ta3.333V66.667,Hf-Ta-V,3,Supercon,Hf0.9Ta0.1V2,MP-mp-1077017,Hf2V4,Hf-V,Hf33.333V66.667,I 41/a m d,tetragonal,5.147745850539648,5.14774585,5.14774585,data/final/MP/cifs/Hf0.9Ta0.1V2-MP-mp-1077017-synth_doped.cif,data/source/MP/raw/cifs/mp-1077017.cif,mp-1077017,0.0,,2018-04-07 18:44:03,9.47163160017764,,,{'GGA': {'task_id': 'mp-1759109'}},0.0337706083333326,5.06389256,520.0,-56.04737833,-9.341229721666666,{'tags': ['Hafnium vanadium (1/2)']},-56.04737833,-9.341229721666666,0.033770608333332,['bandstructure'],True,[187951],True,2021-05-12 10:58:14.654000,NM,6,5,mp-1077017,,HfV2,"{'functional': 'PBE', 'labels': ['Hf_pv', 'V_pv'], 'pot_type': 'paw'}","{'Hf': 1.0, 'V': 2.0}",GGA,mp-1077017,"['mp-1077017', 'mp-1391381', 'mp-1759109', 'mp-1796366', 'mp-1627385']",0.03458425,"{'Hf': 2.0, 'V': 4.0}",98.30836742237948,[],NM,False,141,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0007035871087434,0.03458425,0,0.0691685,MP,data/source/MP/cleaned/cifs/MP-mp-1077017.cif,True,,data/final/MP/graphs/Hf0.9Ta0.1V2-MP-mp-1077017-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba2Cu3Lu1O7,1,0.0,1.0,True,Ba2Cu3Lu1O7,Ba2Cu3Lu1O7,88.24,Cuprate,True,Ba15.385Cu23.077Lu7.692O53.84615384615385,Ba-Cu-Lu-O,4,Supercon,Lu1Ba2Cu3O7,MP-mp-20324,Ba2Lu1Cu3O7,Ba-Cu-Lu-O,Ba15.385Cu23.077Lu7.692O53.84615384615385,P m m m,orthorhombic,3.818903,3.898469,11.801871,data/final/MP/cifs/Ba2Cu3Lu1O7-MP-mp-20324.cif,data/source/MP/raw/cifs/mp-20324.cif,mp-20324,0.0,,2014-02-22 11:14:13,7.109359718686039,10.17188/1195446,"@misc{osti_1195446,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2LuCu3O7 (SG:47) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195446"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1705063'}},0.0403003135096193,3.25942075,520.0,-79.03066785,-6.079282142307692,{'tags': ['Lutetium barium copper oxide (1/2/3/7)']},-79.03066785,-6.079282142307692,-2.1959560480769227,['bandstructure'],True,[161972],True,2021-05-12 10:58:49.477000,NM,13,8,mp-20324,oxide,Ba2LuCu3O7,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Lu_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Lu': 1.0, 'Cu': 3.0, 'O': 7.0}",GGA,mp-20324,"['mp-991834', 'mp-992281', 'mp-20324', 'mp-1421391', 'mp-1705063', 'mp-1786269', 'mp-993914', 'mp-1597533']",0.0008559,"{'Ba': 2.0, 'Lu': 1.0, 'Cu': 3.0, 'O': 7.0}",175.70477973623184,[],NM,False,47,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.871239139224771e-06,0.0008559,0,0.0008559,MP,data/source/MP/cleaned/cifs/MP-mp-20324.cif,False,,data/final/MP/graphs/Ba2Cu3Lu1O7-MP-mp-20324.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
B1Cr2,1,0.0,4.0,False,B4Cr8,B4Cr8,0.0,Other,True,B33.333Cr66.667,B-Cr,2,Supercon,B1Cr2,MP-mp-569424,Cr8B4,B-Cr,B33.333Cr66.667,F d d d,orthorhombic,4.218225998933576,4.233706206662599,7.598448251193582,data/final/MP/cifs/B1Cr2-MP-mp-569424.cif,data/source/MP/raw/cifs/mp-569424.cif,mp-569424,0.0,,2014-02-16 05:31:40,6.7458896065475535,10.17188/1275092,"@misc{osti_1275092,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Cr2B (SG:70) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1275092"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1670722'}},0.0,7.59536936,520.0,-108.40362525,-9.0336354375,{'tags': ['Chromium boride (2/1)']},-108.40362525,-9.0336354375,-0.3718065338888887,['bandstructure'],True,"[188474, 613480, 418163, 613465]",True,2021-05-12 10:58:51.532000,NM,12,10,mp-569424,,Cr2B,"{'functional': 'PBE', 'labels': ['Cr_pv', 'B'], 'pot_type': 'paw'}","{'Cr': 2.0, 'B': 1.0}",GGA,mp-569424,"['mp-915279', 'mp-1001251', 'mp-569424', 'mp-1001484', 'mp-1102136', 'mp-1300317', 'mp-1670722', 'mp-1802501', 'mp-1008000', 'mp-1595538']",0.00591945,"{'Cr': 8.0, 'B': 4.0}",113.03784063448816,[],NM,False,70,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0002094679079774,0.00591945,0,0.0236778,MP,data/source/MP/cleaned/cifs/MP-mp-569424.cif,False,,data/final/MP/graphs/B1Cr2-MP-mp-569424.json,0,True,mmm,0,0,0,7,0,0,0,0,0,0,1,1.0,False
B1Co2,1,0.0,2.0,False,B2Co4,B2Co4,0.0,Other,True,B33.333Co66.667,B-Co,2,Supercon,B1Co2,MP-mp-493,Co4B2,B-Co,B33.333Co66.667,I 4/m c m,tetragonal,4.097335669468163,4.09733567,4.097335669999999,data/final/MP/cifs/B1Co2-MP-mp-493.cif,data/source/MP/raw/cifs/mp-493.cif,mp-493,0.0,,2011-05-12 23:23:59,8.184708965211051,10.17188/1208493,"@misc{osti_1208493,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Co2B (SG:140) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208493"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1071405'}},0.0236958416666661,6.83331881,520.0,-43.25819029,-7.209698381666667,{'tags': ['Cobalt boride (2/1)']},-43.25819029,-7.209698381666667,-0.2443559280555559,"['xas', 'elasticity', 'bandstructure']",True,"[612875, 612878, 612884, 612881, 30447, 612864, 42531]",True,2021-05-12 10:56:20.740000,FM,6,16,mp-493,,Co2B,"{'functional': 'PBE', 'labels': ['Co', 'B'], 'pot_type': 'paw'}","{'Co': 2.0, 'B': 1.0}",GGA,mp-493,"['mp-932264', 'mp-931279', 'mp-915653', 'mp-493', 'mp-8106', 'mp-1071320', 'mp-1071344', 'mp-1071405', 'mp-1077145', 'mp-1077286', 'mp-1077516', 'mp-1440378', 'mp-1686529', 'mp-1794719', 'mp-1595592', 'mp-1071379']",2.0124056,"{'Co': 4.0, 'B': 2.0}",52.21293365258086,[],FM,True,140,1,"[1.0, 1.0, 1.0, 1.0, 0.0, 0.0]",0.0770845635064417,2.0124056,4,4.0248112,MP,data/source/MP/cleaned/cifs/MP-mp-493.cif,False,,data/final/MP/graphs/B1Co2-MP-mp-493.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Al3Yb1,1,0.0,1.0,True,Al3Yb1,Al3Yb1,0.94,Heavy_fermion,True,Al75Yb25,Al-Yb,2,Supercon,Al3Yb1,MP-mp-1259,Yb1Al3,Al-Yb,Al75Yb25,P m -3 m,cubic,4.2921,4.2921,4.2921,data/final/MP/cifs/Al3Yb1-MP-mp-1259.cif,data/source/MP/raw/cifs/mp-1259.cif,mp-1259,0.0,,2011-05-12 17:59:54,5.333926334239918,10.17188/1188995,"@misc{osti_1188995,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YbAl3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1188995"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687918'}},0.0854231000000034,5.26499367,520.0,-13.46530963,-3.3663274075,"{'tags': ['Aluminium ytterbium (3/1)', 'Aluminum ytterbium (3/1)']}",-13.46530963,-3.3663274075,-0.1722434650000002,"['xas', 'elasticity', 'bandstructure']",True,"[609681, 609676, 609678, 58224, 609668, 658320, 609680]",True,2021-05-12 10:56:12.755000,NM,4,9,mp-1259,,YbAl3,"{'functional': 'PBE', 'labels': ['Yb_2', 'Al'], 'pot_type': 'paw'}","{'Yb': 1.0, 'Al': 3.0}",GGA,mp-1259,"['mp-993309', 'mp-991370', 'mp-1259', 'mp-1258750', 'mp-1442103', 'mp-1687918', 'mp-1802251', 'mp-994614', 'mp-1589628']",0.0006875,"{'Yb': 1.0, 'Al': 3.0}",79.06959159596097,[],NM,False,221,0,"[0, 0, 0, 0]",8.69487227799364e-06,0.0006875,0,0.0006875,MP,data/source/MP/cleaned/cifs/MP-mp-1259.cif,False,,data/final/MP/graphs/Al3Yb1-MP-mp-1259.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ir4Sc5Si10,1,0.0,2.0,False,Ir8Sc10Si20,Ir8Sc10Si20,8.311428571,Other,True,Ir21.053Sc26.316Si52.632,Ir-Sc-Si,3,Supercon,Sc5Ir4Si10,MP-mp-1195748,Sc10Si20Ir8,Ir-Sc-Si,Ir21.053Sc26.316Si52.632,P 4/m b m,tetragonal,4.100517,12.405567,12.405567,data/final/MP/cifs/Ir4Sc5Si10-MP-mp-1195748.cif,data/source/MP/raw/cifs/mp-1195748.cif,mp-1195748,0.0,,2019-01-12 01:03:25.611000,6.70730339252736,,,{'GGA': {'task_id': 'mp-1737346'}},0.0,7.69830583,520.0,-275.08964284,-7.239201127368421,"{'tags': ['Sc5Co4Si10', 'Sc5Ir4Si10', 'Scandium iridium silicide (5/4/10)']}",-275.08964284,-7.239201127368421,-0.8192428428947366,[],False,"[640982, 640980, 640975]",True,2021-05-12 10:59:59.077000,NM,38,7,mp-1195748,,Sc5(Si5Ir2)2,"{'functional': 'PBE', 'labels': ['Sc_sv', 'Si', 'Ir'], 'pot_type': 'paw'}","{'Sc': 5.0, 'Si': 10.0, 'Ir': 4.0}",GGA,mp-1195748,"['mp-1195748', 'mp-1202395', 'mp-1202921', 'mp-1237419', 'mp-1388975', 'mp-1737346', 'mp-1936352']",0.0040348,"{'Sc': 10.0, 'Si': 20.0, 'Ir': 8.0}",631.0617449389747,[],NM,False,127,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.278733826716172e-05,0.0040348,0,0.0080696,MP,data/source/MP/cleaned/cifs/MP-mp-1195748.cif,False,,data/final/MP/graphs/Ir4Sc5Si10-MP-mp-1195748.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ba2Ca1Cu2Hg1O6.21,2,0.0171990171990171,0.9660367149758452,True,Ba1.932Ca0.966Cu1.932Hg0.966O6,Ba2Ca1Cu2Hg1O6,127.0,Cuprate,True,Ba16.38Ca8.19Cu16.38Hg8.19O50.85995085995086,Ba-Ca-Cu-Hg-O,5,Supercon,Hg1Ba2Ca1Cu2O6.21,MP-mp-6879,Ba2Ca1Cu2Hg1O6,Ba-Ca-Cu-Hg-O,Ba16.667Ca8.333Cu16.667Hg8.333O50,P 4/m m m,tetragonal,3.904834,3.904834,13.058604,data/final/MP/cifs/Ba2Ca1Cu2Hg1O6.21-MP-mp-6879-synth_doped.cif,data/source/MP/raw/cifs/mp-6879.cif,mp-6879,0.0,,2011-05-14 23:17:39,6.158075338837193,10.17188/1284432,"@misc{osti_1284432,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2CaCu2HgO6 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1284432"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698891'}},0.017586347638888,3.04291167,520.0,-64.08791228,-5.3406593566666665,"{'tags': ['High pressure experimental phase', 'Mercury dibarium calcium dicopper oxide', 'Mercury barium calcium copper oxide (1/2/1/2/6)']}",-64.08791228,-5.3406593566666665,-2.0147092504166664,"['bandstructure', 'elasticity']",True,"[83087, 75729, 75727, 75726, 75725, 75728]",True,2021-05-12 10:56:27.046000,NM,12,12,mp-6879,oxide,Ba2CaCu2HgO6,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ca_sv', 'Cu_pv', 'Hg', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Hg': 1.0, 'O': 6.0}",GGA,mp-6879,"['mp-917434', 'mp-924375', 'mp-6879', 'mp-923788', 'mvc-16307', 'mp-1045026', 'mp-1045039', 'mp-1422313', 'mp-1698891', 'mp-1833979', 'mp-1592102', 'mp-1045044']",0.0305618,"{'Ba': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Hg': 1.0, 'O': 6.0}",199.11404926320108,[],NM,False,123,0,"[0.0, 0.0, 0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001534889181004,0.0305618,0,0.0305618,MP,data/source/MP/cleaned/cifs/MP-mp-6879.cif,True,,data/final/MP/graphs/Ba2Ca1Cu2Hg1O6.21-MP-mp-6879-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Cr0.008Cu1Rh1.992S4,2,0.0022857142857142,2.0,False,Cr0.016Cu2Rh3.984S8,Cu2Rh4S8,2.4,Other,True,Cr0.114Cu14.286Rh28.457S57.143,Cr-Cu-Rh-S,4,Supercon,Cu1Rh1.992Cr0.008S4,MP-mp-15613,Cu2Rh4S8,Cu-Rh-S,Cu14.286Rh28.571S57.143,F d -3 m,cubic,6.98743829,6.987438289999999,6.987438289999999,data/final/MP/cifs/Cr0.008Cu1Rh1.992S4-MP-mp-15613-synth_doped.cif,data/source/MP/raw/cifs/mp-15613.cif,mp-15613,0.0,,2011-06-05 06:28:04,5.474003596961352,10.17188/1191271,"@misc{osti_1191271,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Cu(RhS2)2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191271"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1676515'}},0.0,5.28884909,520.0,-76.75879515,-5.482771082142857,"{'tags': ['Copper rhodium sulfide (1/2/4)', 'Copper dirhodium sulfide', 'Cuprorhodsite']}",-76.75879515,-5.482771082142857,-0.716825099642857,"['xas', 'bandstructure']",True,"[628767, 41900]",True,2021-05-12 10:56:53.126000,NM,14,8,mp-15613,,Cu(RhS2)2,"{'functional': 'PBE', 'labels': ['Cu_pv', 'Rh_pv', 'S'], 'pot_type': 'paw'}","{'Cu': 1.0, 'Rh': 2.0, 'S': 4.0}",GGA,mp-15613,"['mp-920968', 'mp-942816', 'mp-942447', 'mp-15613', 'mp-1475540', 'mp-1676515', 'mp-1774816', 'mp-1603317']",0.0083359,"{'Cu': 2.0, 'Rh': 4.0, 'S': 8.0}",241.23424486268337,[],NM,False,227,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",6.91104200794129e-05,0.0083359,0,0.0166718,MP,data/source/MP/cleaned/cifs/MP-mp-15613.cif,True,,data/final/MP/graphs/Cr0.008Cu1Rh1.992S4-MP-mp-15613-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ni1Pr3,1,0.0,4.0,False,Ni4Pr12,Ni4Pr12,0.0,Heavy_fermion,True,Ni25Pr75,Ni-Pr,2,Supercon,Ni1Pr3,MP-mp-1106122,Pr12Ni4,Ni-Pr,Ni25Pr75,P n m a,orthorhombic,6.563584,7.084087,10.088514,data/final/MP/cifs/Ni1Pr3-MP-mp-1106122.cif,data/source/MP/raw/cifs/mp-1106122.cif,mp-1106122,0.0,,2018-07-19 08:01:47,6.816756639199155,,,{'GGA': {'task_id': 'mp-1708215'}},0.0,4.07553408,520.0,-82.96944705,-5.185590440625,"{'tags': ['Praseodymium nickel (3/1)', 'Fe3C', 'Pr3Ni']}",-82.96944705,-5.185590440625,-0.1548819118749991,['bandstructure'],True,[646228],True,2021-05-12 10:58:22.271000,NM,16,5,mp-1106122,,Pr3Ni,"{'functional': 'PBE', 'labels': ['Pr_3', 'Ni_pv'], 'pot_type': 'paw'}","{'Pr': 3.0, 'Ni': 1.0}",GGA,mp-1106122,"['mp-1106122', 'mp-1419433', 'mp-1708215', 'mp-1814743', 'mp-1630023']",2.985e-05,"{'Pr': 12.0, 'Ni': 4.0}",469.0856363438522,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.5453774481484365e-07,2.985e-05,0,0.0001194,MP,data/source/MP/cleaned/cifs/MP-mp-1106122.cif,False,,data/final/MP/graphs/Ni1Pr3-MP-mp-1106122.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Hf0.8V2Zr0.2,3,0.1333333333333333,2.0,False,Hf1.6V4Zr0.4,Hf2V4,9.73,Other,True,Hf26.667V66.667Zr6.667,Hf-V-Zr,3,Supercon,Hf0.8Zr0.2V2,MP-mp-1077017,Hf2V4,Hf-V,Hf33.333V66.667,I 41/a m d,tetragonal,5.147745850539648,5.14774585,5.14774585,data/final/MP/cifs/Hf0.8V2Zr0.2-MP-mp-1077017-synth_doped.cif,data/source/MP/raw/cifs/mp-1077017.cif,mp-1077017,0.0,,2018-04-07 18:44:03,9.47163160017764,,,{'GGA': {'task_id': 'mp-1759109'}},0.0337706083333326,5.06389256,520.0,-56.04737833,-9.341229721666666,{'tags': ['Hafnium vanadium (1/2)']},-56.04737833,-9.341229721666666,0.033770608333332,['bandstructure'],True,[187951],True,2021-05-12 10:58:14.654000,NM,6,5,mp-1077017,,HfV2,"{'functional': 'PBE', 'labels': ['Hf_pv', 'V_pv'], 'pot_type': 'paw'}","{'Hf': 1.0, 'V': 2.0}",GGA,mp-1077017,"['mp-1077017', 'mp-1391381', 'mp-1759109', 'mp-1796366', 'mp-1627385']",0.03458425,"{'Hf': 2.0, 'V': 4.0}",98.30836742237948,[],NM,False,141,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0007035871087434,0.03458425,0,0.0691685,MP,data/source/MP/cleaned/cifs/MP-mp-1077017.cif,True,,data/final/MP/graphs/Hf0.8V2Zr0.2-MP-mp-1077017-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ca0.17Cu1Dy1.83O4,3,0.0485714285714285,2.0,False,Ca0.34Cu2Dy3.66O8,Cu2Dy4O8,0.0,Cuprate,True,Ca2.429Cu14.286Dy26.143O57.142857142857146,Ca-Cu-Dy-O,4,Supercon,Dy1.83Ca0.17Cu1O4,MP-mp-752673,Dy4Cu2O8,Cu-Dy-O,Cu14.286Dy28.571O57.142857142857146,C m c a,orthorhombic,5.490769,5.4942379978737,6.53614336,data/final/MP/cifs/Ca0.17Cu1Dy1.83O4-MP-mp-752673-synth_doped.cif,data/source/MP/raw/cifs/mp-752673.cif,mp-752673,0.0,,2014-02-14 20:03:10,8.400107964233438,10.17188/1288725,"@misc{osti_1288725,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Dy2CuO4 (SG:64) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1288725"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1737246'}},0.0235548657142787,3.52108188,520.0,-104.25147294,-7.446533781428571,{'tags': []},-104.25147294,-7.446533781428571,-3.1098731571428573,['bandstructure'],True,[],True,2021-05-12 10:58:55.498000,NM,14,7,mp-752673,oxide,Dy2CuO4,"{'functional': 'PBE', 'labels': ['Dy_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Dy': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-752673,"['mp-752673', 'mp-851337', 'mp-853362', 'mp-1443656', 'mp-1737246', 'mp-1827303', 'mp-854154']",0.00094255,"{'Dy': 4.0, 'Cu': 2.0, 'O': 8.0}",178.91825446516856,[],NM,False,12,0,"[0.0, 0.0, 0.0, 0.0, 0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",1.0536096529865194e-05,0.00094255,0,0.0018851,MP,data/source/MP/cleaned/cifs/MP-mp-752673.cif,True,,data/final/MP/graphs/Ca0.17Cu1Dy1.83O4-MP-mp-752673-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Cr0.75Rh0.25,1,0.0,8.0,False,Cr6Rh2,Cr6Rh2,0.071,Other,True,Cr75Rh25,Cr-Rh,2,Supercon,Cr0.75Rh0.25,MP-mp-958,Cr6Rh2,Cr-Rh,Cr75Rh25,P m -3 n,cubic,4.63773,4.63773,4.63773,data/final/MP/cifs/Cr0.75Rh0.25-MP-mp-958.cif,data/source/MP/raw/cifs/mp-958.cif,mp-958,0.0,,2011-05-14 15:38:07,8.61954536112071,10.17188/1313350,"@misc{osti_1313350,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Cr3Rh (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1313350"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697049'}},0.113421036666665,6.94723457,520.0,-72.02893318,-9.0036166475,{'tags': ['Chromium rhodium (3/1)']},-72.02893318,-9.0036166475,0.0772459225000012,"['xas', 'bandstructure']",True,"[626569, 626570]",True,2021-05-12 10:57:55.580000,FM,8,8,mp-958,,Cr3Rh,"{'functional': 'PBE', 'labels': ['Cr_pv', 'Rh_pv'], 'pot_type': 'paw'}","{'Cr': 3.0, 'Rh': 1.0}",GGA,mp-958,"['mp-958', 'mp-944403', 'mp-943758', 'mp-933553', 'mp-1429787', 'mp-1697049', 'mp-1797860', 'mp-1588324']",0.69366955,"{'Cr': 6.0, 'Rh': 2.0}",99.75079914067096,[],FM,True,223,1,"[0.2, 0.2, 0.2, 0.2, 0.2, 0.2, 0.0, 0.0]",0.0139080499800662,0.69366955,6,1.3873391,MP,data/source/MP/cleaned/cifs/MP-mp-958.cif,False,,data/final/MP/graphs/Cr0.75Rh0.25-MP-mp-958.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
La1,1,0.0,4.0,False,La4,La4,5.343,Other,True,La100,La,1,Supercon,La1,MP-mp-26,La4,La,La100,P 63/m m c,hexagonal,3.771192000834997,3.77119107,12.064932,data/final/MP/cifs/La1-MP-mp-26.cif,data/source/MP/raw/cifs/mp-26.cif,mp-26,0.0,,2011-05-13 00:17:36,6.208915966373657,10.17188/1201093,"@misc{osti_1201093,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201093"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677730'}},0.0,7.88912133,520.0,-19.74402842,-4.936007105,"{'tags': ['Lanthanum', 'Lanthanum - alpha']}",-19.74402842,-4.936007105,0.0,"['surfaces', 'eos', 'bandstructure', 'xas', 'elasticity']",True,"[102655, 43573, 641380, 641382]",True,2021-05-12 10:56:18.721000,NM,4,8,mp-26,,La,"{'functional': 'PBE', 'labels': ['La'], 'pot_type': 'paw'}",{'La': 1.0},GGA,mp-26,"['mp-926096', 'mp-910211', 'mp-925688', 'mp-26', 'mp-1437815', 'mp-1677730', 'mp-1881099', 'mp-1590912']",0.037213925,{'La': 4.0},148.59789422091407,[],NM,False,194,0,"[0, 0, 0, 0]",0.0010017349221564,0.037213925,0,0.1488557,MP,data/source/MP/cleaned/cifs/MP-mp-26.cif,False,,data/final/MP/graphs/La1-MP-mp-26.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
B2C1Ni2Tb0.8Y0.2,3,0.0666666666666666,1.0,True,B2C1Ni2Tb0.8Y0.2,B2C1Ni2Tb1,0.0,Other,True,B33.333C16.667Ni33.333Tb13.333Y3.333,B-C-Ni-Tb-Y,5,Supercon,Y0.2Tb0.8Ni2B2C1,MP-mp-6092,Tb1Ni2B2C1,B-C-Ni-Tb,B33.333C16.667Ni33.333Tb16.667,I 4/m m m,tetragonal,3.5665140003823987,3.5665140003823987,5.7333997100000005,data/final/MP/cifs/B2C1Ni2Tb0.8Y0.2-MP-mp-6092-synth_doped.cif,data/source/MP/raw/cifs/mp-6092.cif,mp-6092,0.0,,2011-05-13 04:21:03,7.858244682564482,10.17188/1277657,"@misc{osti_1277657,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TbNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277657"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686417'}},0.0,6.76233636,520.0,-41.85355222,-6.975592036666666,{'tags': []},-41.85355222,-6.975592036666666,-0.5122247530555543,"['xas', 'elasticity', 'bandstructure']",True,"[89159, 89157, 79572, 56648, 89155, 89156, 89160, 89158]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6092,,TbNi2B2C,"{'functional': 'PBE', 'labels': ['Tb_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Tb': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6092,"['mp-1007320', 'mp-1000865', 'mp-6092', 'mp-1440112', 'mp-1686417', 'mp-1793943', 'mp-1012059', 'mp-1590555']",0.0029604,"{'Tb': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",65.4949740949675,[],NM,False,139,0,"[-0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",4.520041485484718e-05,0.0029604,0,0.0029604,MP,data/source/MP/cleaned/cifs/MP-mp-6092.cif,True,,data/final/MP/graphs/B2C1Ni2Tb0.8Y0.2-MP-mp-6092-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
As2Ni2Sr1,1,0.0,1.0,True,As2Ni2Sr1,As2Ni2Sr1,0.66,Ferrite,True,As40Ni40Sr20,As-Ni-Sr,3,Supercon,Sr1Ni2As2,MP-mp-4316,Sr1Ni2As2,As-Ni-Sr,As40Ni40Sr20,I 4/m m m,tetragonal,4.16949000330274,4.16949000330274,5.961588309999999,data/final/MP/cifs/As2Ni2Sr1-MP-mp-4316.cif,data/source/MP/raw/cifs/mp-4316.cif,mp-4316,0.0,,2011-05-13 04:47:00,6.541394661390447,10.17188/1208066,"@misc{osti_1208066,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(NiAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208066"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677434'}},0.0,5.81067567,520.0,-25.88147085,-5.17629417,"{'tags': ['Strontium dinickel arsenide', 'Nickel strontium arsenide (2/1/2)', 'Strontium nickel arsenide (1/2/2)']}",-25.88147085,-5.17629417,-0.6626934453333334,"['xas', 'elasticity', 'bandstructure']",True,"[5411, 23005, 611078, 168135]",True,2021-05-12 10:56:20.740000,NM,5,12,mp-4316,,Sr(NiAs)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ni_pv', 'As'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Ni': 2.0, 'As': 2.0}",GGA,mp-4316,"['mp-928339', 'mp-928883', 'mp-912331', 'mp-4316', 'mp-1068122', 'mp-1068057', 'mp-1068082', 'mp-1437727', 'mp-1677434', 'mp-1781976', 'mp-1587821', 'mp-1068111']",0.001807,"{'Sr': 1.0, 'Ni': 2.0, 'As': 2.0}",90.0789997064265,[],NM,False,139,0,"[0, 0, 0, 0, 0]",2.0060169472231426e-05,0.001807,0,0.001807,MP,data/source/MP/cleaned/cifs/MP-mp-4316.cif,False,,data/final/MP/graphs/As2Ni2Sr1-MP-mp-4316.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba0.014Cu1La1.986O4,2,0.004,1.0,True,Ba0.014Cu1La1.986O4,Cu1La2O4,0.0,Cuprate,True,Ba0.2Cu14.286La28.371O57.142857142857146,Ba-Cu-La-O,4,Supercon,La1.986Ba0.014Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ba0.014Cu1La1.986O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ba0.014Cu1La1.986O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ir3Zr5,1,0.0,6.0,False,Ir18Zr30,Ir18Zr30,0.0,Other,True,Ir37.5Zr62.5,Ir-Zr,2,Supercon,Ir3Zr5,MP-mp-30749,Zr30Ir18,Ir-Zr,Ir37.5Zr62.5,P 61 2 2,hexagonal,7.990202005121447,7.990202079999999,17.225538,data/final/MP/cifs/Ir3Zr5-MP-mp-30749.cif,data/source/MP/raw/cifs/mp-30749.cif,mp-30749,0.0,,2014-02-18 12:12:26,10.804021321677556,10.17188/1205108,"@misc{osti_1205108,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Zr5Ir3 (SG:178) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1205108"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-941762'}},0.0,5.79012882,520.0,-451.11556112,-9.398240856666666,{'tags': []},-451.11556112,-9.398240856666666,-0.7415165554166675,"['xas', 'bandstructure']",True,[],True,2021-05-12 10:57:04.957000,NM,48,5,mp-30749,,Zr5Ir3,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Ir'], 'pot_type': 'paw'}","{'Zr': 5.0, 'Ir': 3.0}",GGA,mp-30749,"['mp-935088', 'mp-941762', 'mp-941947', 'mp-30749', 'mp-1328252']",0.0544256,"{'Zr': 30.0, 'Ir': 18.0}",952.3990417774916,[],NM,False,178,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0003428747674824,0.0544256,0,0.3265536,MP,data/source/MP/cleaned/cifs/MP-mp-30749.cif,False,,data/final/MP/graphs/Ir3Zr5-MP-mp-30749.json,0,True,622,0,4,0,0,0,0,0,1,0,0,0,1.0,False
Be2Ta3,1,0.0,2.0,False,Be4Ta6,Be4Ta6,1.0,Other,True,Be40Ta60,Be-Ta,2,Supercon,Be2Ta3,MP-mp-1078957,Ta6Be4,Be-Ta,Be40Ta60,P 4/m b m,tetragonal,3.365332,6.505307,6.505307,data/final/MP/cifs/Be2Ta3-MP-mp-1078957.cif,data/source/MP/raw/cifs/mp-1078957.cif,mp-1078957,0.0,,2018-04-13 14:24:49,13.07905150395027,,,{'GGA': {'task_id': 'mp-1698839'}},0.0,4.60883144,520.0,-87.89195628,-8.789195628,"{'tags': ['Be2Ta3', 'Beryllium tantalum (2/3)', 'U3Si2']}",-87.89195628,-8.789195628,-0.1787639040000016,['bandstructure'],True,[616431],True,2021-05-12 10:58:16.596000,NM,10,5,mp-1078957,,Ta3Be2,"{'functional': 'PBE', 'labels': ['Ta_pv', 'Be_sv'], 'pot_type': 'paw'}","{'Ta': 3.0, 'Be': 2.0}",GGA,mp-1078957,"['mp-1078957', 'mp-1416007', 'mp-1698839', 'mp-1787752', 'mp-1599965']",0.00011335,"{'Ta': 6.0, 'Be': 4.0}",142.41754940206042,[],NM,False,127,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.5917982085199412e-06,0.00011335,0,0.0002267,MP,data/source/MP/cleaned/cifs/MP-mp-1078957.cif,False,,data/final/MP/graphs/Be2Ta3-MP-mp-1078957.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
In1Pr3,1,0.0,1.0,True,In1Pr3,In1Pr3,0.0,Heavy_fermion,True,In25Pr75,In-Pr,2,Supercon,Pr3In1,MP-mp-19764,Pr3In1,In-Pr,In25Pr75,P m -3 m,cubic,5.031887,5.031887,5.031887,data/final/MP/cifs/In1Pr3-MP-mp-19764.cif,data/source/MP/raw/cifs/mp-19764.cif,mp-19764,0.0,,2014-02-21 07:00:17,7.005965799175742,10.17188/1194969,"@misc{osti_1194969,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Pr3In (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1194969"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703515'}},0.0,4.54231372,520.0,-18.18730839,-4.5468270975,{'tags': ['Indium praseodymium (1/3)']},-18.18730839,-4.5468270975,-0.2732318062499992,"['xas', 'elasticity', 'bandstructure']",True,"[640265, 59488]",True,2021-05-12 10:56:14.760000,NM,4,8,mp-19764,,Pr3In,"{'functional': 'PBE', 'labels': ['Pr_3', 'In_d'], 'pot_type': 'paw'}","{'Pr': 3.0, 'In': 1.0}",GGA,mp-19764,"['mp-930547', 'mp-913714', 'mp-930023', 'mp-19764', 'mp-1475964', 'mp-1703515', 'mp-1802428', 'mp-1592295']",0.0024244,"{'Pr': 3.0, 'In': 1.0}",127.4068091336234,[],NM,False,221,0,"[0, 0, 0, 0]",1.9028810284835764e-05,0.0024244,0,0.0024244,MP,data/source/MP/cleaned/cifs/MP-mp-19764.cif,False,,data/final/MP/graphs/In1Pr3-MP-mp-19764.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
La1Pd3,1,0.0,1.0,True,La1Pd3,La1Pd3,0.0,Other,True,La25Pd75,La-Pd,2,Supercon,La1Pd3,MP-mp-674,La1Pd3,La-Pd,La25Pd75,P m -3 m,cubic,4.236841,4.236841,4.236841,data/final/MP/cifs/La1Pd3-MP-mp-674.cif,data/source/MP/raw/cifs/mp-674.cif,mp-674,0.0,,2011-05-12 23:11:38,10.003338251905191,10.17188/1282440,"@misc{osti_1282440,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaPd3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1282440"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686685'}},0.0,6.71344882,520.0,-23.75016126,-5.937540315,{'tags': ['Lanthanum palladium (1/3)']},-23.75016126,-5.937540315,-0.8186271812499992,"['xas', 'elasticity', 'bandstructure']",True,"[641667, 641668, 104697, 641669, 641666, 104696, 659873, 600368, 641659, 641660]",True,2021-05-12 10:56:27.046000,NM,4,11,mp-674,,LaPd3,"{'functional': 'PBE', 'labels': ['La', 'Pd'], 'pot_type': 'paw'}","{'La': 1.0, 'Pd': 3.0}",GGA,mp-674,"['mp-674', 'mp-991585', 'mp-1064581', 'mp-1064595', 'mp-1064607', 'mp-1476227', 'mp-1686685', 'mp-1800663', 'mp-1588321', 'mp-1592736', 'mp-1064609']",1.33e-05,"{'La': 1.0, 'Pd': 3.0}",76.05477718972978,[],NM,False,221,0,"[0, 0, 0, 0]",1.748739591573742e-07,1.33e-05,0,1.33e-05,MP,data/source/MP/cleaned/cifs/MP-mp-674.cif,False,,data/final/MP/graphs/La1Pd3-MP-mp-674.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Mn0.2Ru0.8,3,0.1,8.0,False,Mn1.6Ru6.4,Mn2Ru6,0.0,Other,True,Mn20Ru80,Mn-Ru,2,Supercon,Mn0.2Ru0.8,MP-mp-865045,Mn2Ru6,Mn-Ru,Mn25Ru75,P 63/m m c,hexagonal,4.245482,5.385747923622249,5.38579301,data/final/MP/cifs/Mn0.2Ru0.8-MP-mp-865045-synth_doped.cif,data/source/MP/raw/cifs/mp-865045.cif,mp-865045,0.0,,2014-08-30 07:40:21,11.152310561885574,10.17188/1310362,"@misc{osti_1310362,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MnRu3 (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1310362"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1052305'}},0.0,7.70790547,520.0,-74.00233957,-9.25029244625,{'tags': []},-74.00233957,-9.25029244625,-0.003996381982759,[],False,[],True,2021-05-12 11:01:49.706000,FiM,8,9,mp-865045,,MnRu3,"{'functional': 'PBE', 'labels': ['Mn_pv', 'Ru_pv'], 'pot_type': 'paw'}","{'Mn': 1.0, 'Ru': 3.0}",GGA,mp-865045,"['mp-865045', 'mp-1052201', 'mp-1052305', 'mp-1389629', 'mp-1659018', 'mp-1751102', 'mp-1796575', 'mp-1618805', 'mp-1052304']",0.34627355,"{'Mn': 2.0, 'Ru': 6.0}",106.65392019864316,[],FiM,True,194,2,"[1.2, 1.2, -0.3, -0.3, -0.3, -0.3, -0.3, -0.3]",0.0064934050123064,0.34627355,8,0.6925471,MP,data/source/MP/cleaned/cifs/MP-mp-865045.cif,True,,data/final/MP/graphs/Mn0.2Ru0.8-MP-mp-865045-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Al2Gd0.002La0.998,2,0.0013333333333333,2.0,False,Al4Gd0.004La1.996,Al4La2,2.42,Other,True,Al66.667Gd0.067La33.267,Al-Gd-La,3,Supercon,La0.998Gd0.002Al2,MP-mp-2694,La2Al4,Al-La,Al66.667La33.333,F d -3 m,cubic,5.75810346,5.75810346,5.75810346,data/final/MP/cifs/Al2Gd0.002La0.998-MP-mp-2694-synth_doped.cif,data/source/MP/raw/cifs/mp-2694.cif,mp-2694,0.0,,2011-05-12 21:07:48,4.744791242841679,10.17188/1201263,"@misc{osti_1201263,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaAl2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201263"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686658'}},0.0,8.10972418,520.0,-27.8605497,-4.64342495,{'tags': ['Aluminium lanthanum (2/1)']},-27.8605497,-4.64342495,-0.5010386950000001,"['xas', 'elasticity', 'bandstructure']",True,"[608275, 608277, 608265, 608290, 608288, 57933, 608270, 608269, 603920, 608272, 608286, 608273, 608289, 604450, 608266]",True,2021-05-12 10:56:18.721000,NM,6,10,mp-2694,,LaAl2,"{'functional': 'PBE', 'labels': ['La', 'Al'], 'pot_type': 'paw'}","{'La': 1.0, 'Al': 2.0}",GGA,mp-2694,"['mp-940230', 'mp-925817', 'mp-940644', 'mp-2694', 'mp-1258643', 'mp-1440554', 'mp-1686658', 'mp-1787219', 'mp-1596037', 'mp-1594760']",0.0008869,"{'La': 2.0, 'Al': 4.0}",134.99677475891534,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",1.3139573172527638e-05,0.0008869,0,0.0017738,MP,data/source/MP/cleaned/cifs/MP-mp-2694.cif,True,,data/final/MP/graphs/Al2Gd0.002La0.998-MP-mp-2694-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ru0.5V0.5,1,0.0,2.0,False,Ru1V1,Ru1V1,0.0,Other,True,Ru50V50,Ru-V,2,Supercon,Ru0.5V0.5,MP-mp-1395,V1Ru1,Ru-V,Ru50V50,P m -3 m,cubic,3.014694,3.014694,3.014694,data/final/MP/cifs/Ru0.5V0.5-MP-mp-1395.cif,data/source/MP/raw/cifs/mp-1395.cif,mp-1395,0.0,,2011-05-12 19:37:14,9.21288886283982,10.17188/1189837,"@misc{osti_1189837,
    author = ""Persson, Kristin"",
    title = ""Materials Data on VRu (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189837"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688485'}},0.0,7.72767567,520.0,-18.82570789,-9.412853945,"{'tags': ['Ruthenium vanadium (1/1)', 'Ruthenium vanadium (1/1) - HT']}",-18.82570789,-9.412853945,-0.2337060825000012,"['xas', 'elasticity', 'bandstructure']",True,"[106010, 106011]",True,2021-05-12 10:56:12.755000,FiM,2,17,mp-1395,,VRu,"{'functional': 'PBE', 'labels': ['V_pv', 'Ru_pv'], 'pot_type': 'paw'}","{'V': 1.0, 'Ru': 1.0}",GGA,mp-1395,"['mp-991544', 'mp-993492', 'mp-2829', 'mp-1395', 'mp-1059722', 'mp-1059669', 'mp-1059766', 'mp-1059703', 'mp-1059619', 'mp-1059801', 'mp-1442257', 'mp-1688485', 'mp-1792970', 'mp-994797', 'mp-1591529', 'mp-1059798', 'mp-1059699']",0.647887,"{'V': 1.0, 'Ru': 1.0}",27.39868439535897,[],FiM,True,221,2,"[0.7, -0.1]",0.023646646337141,0.647887,2,0.647887,MP,data/source/MP/cleaned/cifs/MP-mp-1395.cif,False,,data/final/MP/graphs/Ru0.5V0.5-MP-mp-1395.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cu0.75La2Zn0.25O4,3,0.0714285714285714,1.0,True,Cu0.75La2Zn0.25O4,Cu1La2O4,0.0,Cuprate,True,Cu10.714La28.571Zn3.571O57.142857142857146,Cu-La-Zn-O,4,Supercon,La2Sr0Cu0.75Zn0.25O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu0.75La2Zn0.25O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu0.75La2Zn0.25O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ce0.8Co1In5Yb0.2,3,0.0571428571428571,1.0,True,Ce0.8Co1In5Yb0.2,Ce1Co1In5,0.92,Heavy_fermion,True,Ce11.429Co14.286In71.429Yb2.857,Ce-Co-In-Yb,4,Supercon,Ce0.8Yb0.2Co1In5,MP-mp-19961,Ce1In5Co1,Ce-Co-In,Ce14.286Co14.286In71.429,P 4/m m m,tetragonal,4.635989,4.635989,7.564124,data/final/MP/cifs/Ce0.8Co1In5Yb0.2-MP-mp-19961-synth_doped.cif,data/source/MP/raw/cifs/mp-19961.cif,mp-19961,0.0,,2014-02-21 14:08:25,7.897022127398995,10.17188/1195145,"@misc{osti_1195145,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeIn5Co (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195145"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701944'}},0.0,7.80626318,520.0,-28.52795357,-4.075421938571429,{'tags': ['Cerium cobalt indium (1/1/5)']},-28.52795357,-4.075421938571429,-0.2468754242857146,"['xas', 'bandstructure']",True,[102108],True,2021-05-12 10:56:57.051000,FM,7,8,mp-19961,,CeIn5Co,"{'functional': 'PBE', 'labels': ['Ce', 'In_d', 'Co'], 'pot_type': 'paw'}","{'Ce': 1.0, 'In': 5.0, 'Co': 1.0}",GGA,mp-19961,"['mp-928775', 'mp-912209', 'mp-928270', 'mp-19961', 'mp-1504062', 'mp-1701944', 'mp-1785253', 'mp-1593180']",0.9310323,"{'Ce': 1.0, 'In': 5.0, 'Co': 1.0}",162.57113333428427,[],FM,True,123,1,"[0.7, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0057269226147644,0.9310323,1,0.9310323,MP,data/source/MP/cleaned/cifs/MP-mp-19961.cif,True,,data/final/MP/graphs/Ce0.8Co1In5Yb0.2-MP-mp-19961-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
C1Cu1K0.3Sr1.7O5,3,0.0666666666666666,2.0,False,C2Cu2K0.6Sr3.4O10,C2Cu2Sr4O10,16.0,Cuprate,True,C11.111Cu11.111K3.333Sr18.889O55.55555555555556,C-Cu-K-Sr-O,5,Supercon,Sr1.7K0.3Cu1C1O5,MP-mp-1147662,Sr4Cu2C2O10,C-Cu-Sr-O,C11.111Cu11.111Sr22.222O55.55555555555556,I -4 2 m,tetragonal,5.556718,5.556718,8.631809904721473,data/final/MP/cifs/C1Cu1K0.3Sr1.7O5-MP-mp-1147662-synth_doped.cif,data/source/MP/raw/cifs/mp-1147662.cif,mp-1147662,0.0,,2018-12-27 11:40:38.663000,4.629324765530757,,,,0.0444555886111093,3.36507303,520.0,-118.84575437,-6.602541909444444,{'tags': []},-118.84575437,-6.602541909444444,-2.3792330981481475,[],False,[],True,2021-05-12 10:59:37.456000,AFM,18,2,mp-1147662,oxide,Sr2CuCO5,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'C', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Cu': 1.0, 'C': 1.0, 'O': 5.0}",GGA,mp-1147662,"['mp-1147662', 'mp-1881214']",0.0031806,"{'Sr': 4.0, 'Cu': 2.0, 'C': 2.0, 'O': 10.0}",237.3114394242258,[],AFM,True,121,2,"[0.0, 0.0, 0.0, 0.0, 0.3, -0.3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.6805281765741217e-05,0.0031806,2,0.0063612,MP,data/source/MP/cleaned/cifs/MP-mp-1147662.cif,True,,data/final/MP/graphs/C1Cu1K0.3Sr1.7O5-MP-mp-1147662-synth_doped.json,0,True,-42m,0,0,0,0,6,0,0,0,0,1,0,1.0,False
Ba1Pb0.8Sb0.2O3,3,0.0799999999999999,2.0,False,Ba2Pb1.6Sb0.4O6,Ba2Pb2O6,1.7,Oxide,True,Ba20Pb16Sb4O60,Ba-Pb-Sb-O,4,Supercon,Ba1Pb0.8Sb0.2O3,MP-mp-22230,Ba2Pb2O6,Ba-Pb-O,Ba20Pb20O60,I m m a,orthorhombic,6.133862002250079,6.155866510000001,6.155866509646406,data/final/MP/cifs/Ba1Pb0.8Sb0.2O3-MP-mp-22230-synth_doped.cif,data/source/MP/raw/cifs/mp-22230.cif,mp-22230,0.2093999999999996,,2014-02-21 02:34:22,7.878976238337828,10.17188/1197446,"@misc{osti_1197446,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BaPbO3 (SG:74) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197446"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677620'}},0.0,2.99294363,520.0,-57.91751158,-5.791751158,"{'tags': ['Barium plumbate(IV)', 'Barium lead oxide', 'Barium plumbate', 'Barium lead(IV) oxide']}",-57.91751158,-5.791751158,-2.1088509750000006,"['xas', 'bandstructure']",True,"[252031, 94313, 154038, 245600, 51657, 94312, 245601, 78681, 154039, 15933, 67811, 245602]",True,2021-05-12 10:56:59.077000,NM,10,7,mp-22230,oxide,BaPbO3,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pb_d', 'O'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Pb': 1.0, 'O': 3.0}",GGA,mp-22230,"['mp-547522', 'mp-22230', 'mp-1078282', 'mp-1437547', 'mp-1677620', 'mp-1828697', 'mp-1589590']",5.66e-05,"{'Ba': 2.0, 'Pb': 2.0, 'O': 6.0}",165.45383803885784,[],NM,False,74,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.841787494431788e-07,5.66e-05,0,0.0001132,MP,data/source/MP/cleaned/cifs/MP-mp-22230.cif,True,,data/final/MP/graphs/Ba1Pb0.8Sb0.2O3-MP-mp-22230-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,0.5,False
Ce0.1Cu2Gd0.9Ru1Sr2O8,2,0.0142857142857142,2.0,False,Ce0.2Cu4Gd1.8Ru2Sr4O16,Cu4Gd2Ru2Sr4O16,0.0,Cuprate,True,Ce0.714Cu14.286Gd6.429Ru7.143Sr14.286O57.142857142857146,Ce-Cu-Gd-Ru-Sr-O,6,Supercon,Ru1Sr2Gd0.9Ce0.1Cu2O8,MP-mp-1194240,Sr4Gd2Cu4Ru2O16,Cu-Gd-Ru-Sr-O,Cu14.286Gd7.143Ru7.143Sr14.286O57.142857142857146,P 4/m b m,tetragonal,5.472451,5.472451,11.740702,data/final/MP/cifs/Ce0.1Cu2Gd0.9Ru1Sr2O8-MP-mp-1194240-synth_doped.cif,data/source/MP/raw/cifs/mp-1194240.cif,mp-1194240,0.0,,2019-01-11 23:51:58.932000,6.504561898971391,,,{'GGA': {'task_id': 'mp-1765260'}},0.0213449239285443,3.93502801,520.0,-201.55352223,-7.198340079642857,"{'tags': ['Sr2Cu2GdRuO8 orth', 'Sr2Cu2GdRuO8', 'Ruthenium distrontium gadolinium dicopper octaoxide']}",-201.55352223,-7.198340079642857,-2.268654352380952,['bandstructure'],True,[245741],True,2021-05-12 10:58:35.561000,FiM,28,6,mp-1194240,oxide,Sr2GdCu2RuO8,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Gd', 'Cu_pv', 'Ru_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Gd': 1.0, 'Cu': 2.0, 'Ru': 1.0, 'O': 8.0}",GGA,mp-1194240,"['mp-1194240', 'mp-1396976', 'mp-1659973', 'mp-1765260', 'mp-1841948', 'mp-1638264']",4.23696715,"{'Sr': 4.0, 'Gd': 2.0, 'Cu': 4.0, 'Ru': 2.0, 'O': 16.0}",351.6072554818909,[],FiM,True,127,2,"[-0.0, -0.0, -0.0, -0.0, 6.9, 6.9, 0.0, 0.0, 0.0, 0.0, -1.8, -1.8, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0241005672319991,4.23696715,4,8.4739343,MP,data/source/MP/cleaned/cifs/MP-mp-1194240.cif,True,,data/final/MP/graphs/Ce0.1Cu2Gd0.9Ru1Sr2O8-MP-mp-1194240-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Al0.8B0.2Nb3,3,0.0999999999999999,2.0,False,Al1.6B0.4Nb6,Al2Nb6,17.8,Other,True,Al20B5Nb75,Al-B-Nb,3,Supercon,Nb3Al0.8B0.2,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al0.8B0.2Nb3-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al0.8B0.2Nb3-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Ca1Cu2Hg1O6.1,2,0.0082644628099173,0.9837213114754098,True,Ba1.967Ca0.984Cu1.967Hg0.984O6,Ba2Ca1Cu2Hg1O6,92.5,Cuprate,True,Ba16.529Ca8.264Cu16.529Hg8.264O50.41322314049587,Ba-Ca-Cu-Hg-O,5,Supercon,Hg1Ba2Ca1Cu2O6.1,MP-mp-6879,Ba2Ca1Cu2Hg1O6,Ba-Ca-Cu-Hg-O,Ba16.667Ca8.333Cu16.667Hg8.333O50,P 4/m m m,tetragonal,3.904834,3.904834,13.058604,data/final/MP/cifs/Ba2Ca1Cu2Hg1O6.1-MP-mp-6879-synth_doped.cif,data/source/MP/raw/cifs/mp-6879.cif,mp-6879,0.0,,2011-05-14 23:17:39,6.158075338837193,10.17188/1284432,"@misc{osti_1284432,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2CaCu2HgO6 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1284432"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698891'}},0.017586347638888,3.04291167,520.0,-64.08791228,-5.3406593566666665,"{'tags': ['High pressure experimental phase', 'Mercury dibarium calcium dicopper oxide', 'Mercury barium calcium copper oxide (1/2/1/2/6)']}",-64.08791228,-5.3406593566666665,-2.0147092504166664,"['bandstructure', 'elasticity']",True,"[83087, 75729, 75727, 75726, 75725, 75728]",True,2021-05-12 10:56:27.046000,NM,12,12,mp-6879,oxide,Ba2CaCu2HgO6,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ca_sv', 'Cu_pv', 'Hg', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Hg': 1.0, 'O': 6.0}",GGA,mp-6879,"['mp-917434', 'mp-924375', 'mp-6879', 'mp-923788', 'mvc-16307', 'mp-1045026', 'mp-1045039', 'mp-1422313', 'mp-1698891', 'mp-1833979', 'mp-1592102', 'mp-1045044']",0.0305618,"{'Ba': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Hg': 1.0, 'O': 6.0}",199.11404926320108,[],NM,False,123,0,"[0.0, 0.0, 0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001534889181004,0.0305618,0,0.0305618,MP,data/source/MP/cleaned/cifs/MP-mp-6879.cif,True,,data/final/MP/graphs/Ba2Ca1Cu2Hg1O6.1-MP-mp-6879-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As1Fe1.02Li0.98,2,0.0133333333333333,2.0,False,As2Fe2.04Li1.96,As2Fe2Li2,4.61,Ferrite,True,As33.333Fe34Li32.667,As-Fe-Li,3,Supercon,Li0.98Fe1.02As1,MP-mp-21471,Li2Fe2As2,As-Fe-Li,As33.333Fe33.333Li33.333,P 4/n m m,tetragonal,3.790629,3.790629,6.107451,data/final/MP/cifs/As1Fe1.02Li0.98-MP-mp-21471-synth_doped.cif,data/source/MP/raw/cifs/mp-21471.cif,mp-21471,0.0,,2013-10-29 11:57:13,5.21140049061562,10.17188/1196927,"@misc{osti_1196927,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LiFeAs (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196927"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686578'}},0.0,4.20304559,520.0,-32.72438031,-5.454063385,"{'tags': ['Lithium iron arsenide', 'Iron lithium arsenide']}",-32.72438031,-5.454063385,-0.4413801444444445,"['xas', 'elasticity']",False,"[290700, 168206, 610480, 169175, 162250, 162056, 166457, 163870]",True,2021-05-12 10:56:16.728000,FM,6,18,mp-21471,,LiFeAs,"{'functional': 'PBE', 'labels': ['Li_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Li': 1.0, 'Fe': 1.0, 'As': 1.0}",GGA,mp-21471,"['mp-917215', 'mp-674647', 'mp-919059', 'mp-920059', 'mp-1071407', 'mp-21471', 'mp-1071451', 'mp-38403', 'mp-33848', 'mp-37001', 'mp-34336', 'mp-36599', 'mp-36822', 'mp-36276', 'mp-1439936', 'mp-1686578', 'mp-1784376', 'mp-1071444']",0.2682074,"{'Li': 2.0, 'Fe': 2.0, 'As': 2.0}",87.75715855248485,[],FM,True,129,1,"[-0.0, -0.0, 0.3, 0.3, -0.0, -0.0]",0.0061124905232567,0.2682074,2,0.5364148,MP,data/source/MP/cleaned/cifs/MP-mp-21471.cif,True,,data/final/MP/graphs/As1Fe1.02Li0.98-MP-mp-21471-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Al1Y1,1,0.0,2.0,False,Al2Y2,Al2Y2,0.0,Other,True,Al50Y50,Al-Y,2,Supercon,Al1Y1,MP-mp-11228,Y2Al2,Al-Y,Al50Y50,C m c m,orthorhombic,3.832815998694607,4.482586,6.083440050000001,data/final/MP/cifs/Al1Y1-MP-mp-11228.cif,data/source/MP/raw/cifs/mp-11228.cif,mp-11228,0.0,,2011-05-27 19:47:06,3.879845028133587,10.17188/1187651,"@misc{osti_1187651,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YAl (SG:63) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187651"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700986'}},0.0046701812499998,4.32446662,520.0,-22.09748128,-5.52437032,"{'tags': ['Yttrium aluminium (1/1)', 'Aluminium yttrium (1/1)', 'Aluminum yttrium (1/1)']}",-22.09748128,-5.52437032,-0.418346848333333,"['xas', 'elasticity', 'bandstructure']",True,"[247101, 58209, 609650]",True,2021-05-12 10:56:10.715000,NM,4,15,mp-11228,,YAl,"{'functional': 'PBE', 'labels': ['Y_sv', 'Al'], 'pot_type': 'paw'}","{'Y': 1.0, 'Al': 1.0}",GGA,mp-11228,"['mp-11228', 'mp-1064953', 'mp-1064986', 'mp-1065048', 'mp-912010', 'mp-928138', 'mp-928653', 'mp-1253136', 'mp-1253521', 'mp-1254185', 'mp-1441275', 'mp-1700986', 'mp-1796616', 'mp-1593123', 'mp-1065014']",0.2527955,"{'Y': 2.0, 'Al': 2.0}",99.1975373764489,[],NM,False,63,0,"[0, 0, 0, 0]",0.0050968099952049,0.2527955,0,0.505591,MP,data/source/MP/cleaned/cifs/MP-mp-11228.cif,False,,data/final/MP/graphs/Al1Y1-MP-mp-11228.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Hf1N1,1,0.0,1.0,True,Hf1N1,Hf1N1,8.83,Other,True,Hf50N50,Hf-N,2,Supercon,Hf1N1,MP-mp-2828,Hf1N1,Hf-N,Hf50N50,F m -3 m,cubic,3.2086681400000003,3.208668139999999,3.208668139999999,data/final/MP/cifs/Hf1N1-MP-mp-2828.cif,data/source/MP/raw/cifs/mp-2828.cif,mp-2828,0.0,,2011-05-12 17:40:50,13.68399724663909,10.17188/1202411,"@misc{osti_1202411,
    author = ""Persson, Kristin"",
    title = ""Materials Data on HfN (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1202411"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686752'}},0.0,8.29873188,520.0,-21.78975196,-10.89487598,"{'tags': ['Hafnium nitride (1/1)', 'Hafnium(III) nitride', 'Hafnium nitride - B1, NP', 'Hafnium nitride (1/1) - rocksalt type', 'Hafnium nitride']}",-21.78975196,-10.89487598,-1.9285340925000007,"['xas', 'elasticity', 'bandstructure']",True,"[638651, 187190, 638654, 53026, 167859, 186385, 183419, 638655, 192050, 638652, 76129, 181797, 658397, 638656, 658335, 638649, 53025, 638657, 638660, 638650]",True,2021-05-12 10:56:18.721000,NM,2,25,mp-2828,,HfN,"{'functional': 'PBE', 'labels': ['Hf_pv', 'N'], 'pot_type': 'paw'}","{'Hf': 1.0, 'N': 1.0}",GGA,mp-2828,"['mp-1000866', 'mp-1007308', 'mp-2828', 'mp-1057010', 'mp-1057058', 'mp-1057028', 'mp-1058002', 'mp-1058045', 'mp-1058108', 'mp-1058016', 'mp-1058092', 'mp-1058128', 'mp-1058950', 'mp-1058967', 'mp-1059002', 'mp-1440960', 'mp-1686752', 'mp-1793787', 'mp-1012051', 'mp-1595739', 'mp-1596504', 'mp-1058993', 'mp-1058122', 'mp-1058043', 'mp-1057049']",0.000136,"{'Hf': 1.0, 'N': 1.0}",23.35927761313228,[],NM,False,225,0,"[0, 0]",5.822097851328356e-06,0.000136,0,0.000136,MP,data/source/MP/cleaned/cifs/MP-mp-2828.cif,False,,data/final/MP/graphs/Hf1N1-MP-mp-2828.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Nb3Si0.06Sn0.94,2,0.03,2.0,False,Nb6Si0.12Sn1.88,Nb6Sn2,17.8,Other,True,Nb75Si1.5Sn23.5,Nb-Si-Sn,3,Supercon,Nb3Si0.06Sn0.94,MP-mp-1326,Nb6Sn2,Nb-Sn,Nb75Sn25,P m -3 n,cubic,5.334611,5.334611,5.334611,data/final/MP/cifs/Nb3Si0.06Sn0.94-MP-mp-1326-synth_doped.cif,data/source/MP/raw/cifs/mp-1326.cif,mp-1326,0.0,,2011-05-14 09:51:48,8.694218121896231,10.17188/1189484,"@misc{osti_1189484,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Sn (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189484"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668415'}},0.0,6.59372491,520.0,-69.93787048,-8.74223381,{'tags': ['Niobium tin (3/1)']},-69.93787048,-8.74223381,-0.163862066250001,"['xas', 'elasticity', 'bandstructure']",True,"[105230, 645503, 645489, 105231, 645498, 645485, 645474, 645496, 645480, 645488, 645482, 645487, 645500, 645493, 645477, 645484, 645502, 645483, 150878, 645479, 645481, 645486, 645473]",True,2021-05-12 10:56:12.755000,NM,8,9,mp-1326,,Nb3Sn,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Sn_d'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Sn': 1.0}",GGA,mp-1326,"['mp-930046', 'mp-913770', 'mp-930577', 'mp-1326', 'mp-1440651', 'mp-1668415', 'mp-1880085', 'mp-1594093', 'mp-1594507']",0.62023085,"{'Nb': 6.0, 'Sn': 2.0}",151.81275738025872,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0081709977567491,0.62023085,0,1.2404617,MP,data/source/MP/cleaned/cifs/MP-mp-1326.cif,True,,data/final/MP/graphs/Nb3Si0.06Sn0.94-MP-mp-1326-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Al2.94Ga0.06Pd2U1,2,0.02,1.0,True,Al2.94Ga0.06Pd2U1,Al3Pd2U1,1.51,Heavy_fermion,True,Al49Ga1Pd33.333U16.667,Al-Ga-Pd-U,4,Supercon,U1Pd2Al2.94Ga0.06,MP-mp-4561,U1Al3Pd2,Al-Pd-U,Al50Pd33.333U16.667,P 6/m m m,hexagonal,4.239652,5.384229999094356,5.3842309,data/final/MP/cifs/Al2.94Ga0.06Pd2U1-MP-mp-4561-synth_doped.cif,data/source/MP/raw/cifs/mp-4561.cif,mp-4561,0.0,,2011-05-12 23:59:10,8.296603403902926,10.17188/1208253,"@misc{osti_1208253,
    author = ""Persson, Kristin"",
    title = ""Materials Data on UAl3Pd2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208253"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700804'}},0.0796314472916668,8.0468212,520.0,-36.36476907,-6.060794845,"{'tags': ['Aluminium palladium uranium (3/2/1)', 'Aluminum palladium uranium (3/2/1)']}",-36.36476907,-6.060794845,-0.5794779916666665,"['xas', 'elasticity', 'bandstructure']",True,"[657574, 106242, 659234]",True,2021-05-12 10:56:20.740000,FM,6,9,mp-4561,,UAl3Pd2,"{'functional': 'PBE', 'labels': ['U', 'Al', 'Pd'], 'pot_type': 'paw'}","{'U': 1.0, 'Al': 3.0, 'Pd': 2.0}",GGA,mp-4561,"['mp-4561', 'mp-991619', 'mp-993538', 'mp-1251974', 'mp-1441898', 'mp-1700804', 'mp-1933710', 'mp-994863', 'mp-1593816']",2.2050571,"{'U': 1.0, 'Al': 3.0, 'Pd': 2.0}",106.4408038742404,[],FM,True,191,1,"[2.2, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0207162762750765,2.2050571,1,2.2050571,MP,data/source/MP/cleaned/cifs/MP-mp-4561.cif,True,,data/final/MP/graphs/Al2.94Ga0.06Pd2U1-MP-mp-4561-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
B2Co3Gd1,1,0.0,1.0,True,B2Co3Gd1,B2Co3Gd1,0.0,Other,True,B33.333Co50Gd16.667,B-Co-Gd,3,Supercon,Gd1Co3B2,MP-mp-21252,Gd1Co3B2,B-Co-Gd,B33.333Co50Gd16.667,P 6/m m m,hexagonal,3.013415,5.0205000016046,5.0205004,data/final/MP/cifs/B2Co3Gd1-MP-mp-21252.cif,data/source/MP/raw/cifs/mp-21252.cif,mp-21252,0.0,,2014-02-21 10:48:54,8.978725647282937,10.17188/1196524,"@misc{osti_1196524,
    author = ""Persson, Kristin"",
    title = ""Materials Data on GdCo3B2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196524"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672771'}},0.0,5.63764655,520.0,-51.55771745,-8.592952908333332,"{'tags': ['Gadolinium cobalt boride (1/3/2)', 'Cobalt gadolinium boride (3/1/2)']}",-51.55771745,-8.592952908333332,-0.4663097138888877,"['xas', 'bandstructure']",True,"[659055, 613069, 23656, 87162, 613055, 656894]",True,2021-05-12 10:56:59.077000,FiM,6,5,mp-21252,,GdCo3B2,"{'functional': 'PBE', 'labels': ['Gd', 'Co', 'B'], 'pot_type': 'paw'}","{'Gd': 1.0, 'Co': 3.0, 'B': 2.0}",GGA,mp-21252,"['mp-21252', 'mp-1439344', 'mp-1672771', 'mp-1928194', 'mp-1592040']",6.8634201,"{'Gd': 1.0, 'Co': 3.0, 'B': 2.0}",65.77843949945911,[],FiM,True,191,2,"[7.0, -0.1, -0.1, -0.1, 0.0, 0.0]",0.1043414856330916,6.8634201,4,6.8634201,MP,data/source/MP/cleaned/cifs/MP-mp-21252.cif,False,,data/final/MP/graphs/B2Co3Gd1-MP-mp-21252.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As2Fe2Mg0.8Sr4Ti1.2O6,3,0.0249999999999999,1.0,True,As2Fe2Mg0.8Sr4Ti1.2O6,As2Fe2Mg1Sr4Ti1O6,26.0,Ferrite,True,As12.5Fe12.5Mg5Sr25Ti7.5O37.5,As-Fe-Mg-Sr-Ti-O,6,Supercon,Fe2As2Sr4Mg0.8Ti1.2O6,MP-mp-1218475,Sr4Mg1Ti1Fe2As2O6,As-Fe-Mg-Sr-Ti-O,As12.5Fe12.5Mg6.25Sr25Ti6.25O37.5,P 4 m m,tetragonal,4.015363,4.015363,16.837343,data/final/MP/cifs/As2Fe2Mg0.8Sr4Ti1.2O6-MP-mp-1218475-synth_doped.cif,data/source/MP/raw/cifs/mp-1218475.cif,mp-1218475,0.0,,2019-01-12 19:38:13.106000,4.772232743847063,,,,0.596506169999997,3.61641349,520.0,-93.06331959,-5.816457474375,{'tags': []},-93.06331959,-5.816457474375,-1.8435971231250008,[],False,[],True,2021-05-12 11:00:42.526000,FM,16,3,mp-1218475,oxide,Sr4MgTiFe2(AsO3)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Mg_pv', 'Ti_pv', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sr': 4.0, 'Mg': 1.0, 'Ti': 1.0, 'Fe': 2.0, 'As': 2.0, 'O': 6.0}",GGA+U,mp-1218475,"['mp-1218475', 'mp-1332338', 'mp-1770100']",0.1094594,"{'Sr': 4.0, 'Mg': 1.0, 'Ti': 1.0, 'Fe': 2.0, 'As': 2.0, 'O': 6.0}",271.4708387835521,[],FM,True,25,1,"[-0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, 0.1, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0004032086852881,0.1094594,1,0.1094594,MP,data/source/MP/cleaned/cifs/MP-mp-1218475.cif,True,,data/final/MP/graphs/As2Fe2Mg0.8Sr4Ti1.2O6-MP-mp-1218475-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,1,0,0,0,1.0,False
Fe1.7K0.8S2,3,0.0888888888888888,1.0,True,Fe1.7K0.8S2,Fe2K1S2,0.0,Ferrite,True,Fe37.778K17.778S44.444,Fe-K-S,3,Supercon,K0.8Fe1.7S2,MP-mp-1070151,K1Fe2S2,Fe-K-S,Fe40K20S40,I 4/m m m,tetragonal,3.693185999471219,3.693185999471219,6.9328373,data/final/MP/cifs/Fe1.7K0.8S2-MP-mp-1070151-synth_doped.cif,data/source/MP/raw/cifs/mp-1070151.cif,mp-1070151,0.0,,2018-03-22 02:37:08,4.074154778309566,,,{'GGA': {'task_id': 'mp-1765722'}},0.0,5.25657246,520.0,-29.69471726,-5.938943452,{'tags': ['Potassium iron sulfide (1/2/2)']},-29.69471726,-5.938943452,-0.8754803358500005,['bandstructure'],True,[186572],True,2021-05-12 10:58:14.654000,NM,5,8,mp-1070151,,K(FeS)2,"{'functional': 'PBE', 'labels': ['K_sv', 'Fe_pv', 'S'], 'pot_type': 'paw'}","{'K': 1.0, 'Fe': 2.0, 'S': 2.0}",GGA,mp-1070151,"['mp-1070151', 'mp-1070182', 'mp-1070223', 'mp-1397127', 'mp-1765722', 'mp-1784065', 'mp-1616465', 'mp-1070209']",0.000208,"{'K': 1.0, 'Fe': 2.0, 'S': 2.0}",87.59614022944267,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",2.374533848810925e-06,0.000208,0,0.000208,MP,data/source/MP/cleaned/cifs/MP-mp-1070151.cif,True,,data/final/MP/graphs/Fe1.7K0.8S2-MP-mp-1070151-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ce0.18Cu1Nd1.82O4,3,0.0514285714285714,1.0,True,Ce0.18Cu1Nd1.82O4,Cu1Nd2O4,0.0,Cuprate,True,Ce2.571Cu14.286Nd26O57.142857142857146,Ce-Cu-Nd-O,4,Supercon,Nd1.82Ce0.18Cu1O4,MP-mp-4158,Nd2Cu1O4,Cu-Nd-O,Cu14.286Nd28.571O57.142857142857146,I 4/m m m,tetragonal,3.973854000245551,3.973854000245551,6.78296857,data/final/MP/cifs/Ce0.18Cu1Nd1.82O4-MP-mp-4158-synth_doped.cif,data/source/MP/raw/cifs/mp-4158.cif,mp-4158,0.0,,2011-05-13 10:19:33,7.086167303782593,10.17188/1207899,"@misc{osti_1207899,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nd2CuO4 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207899"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-670050'}},0.0009497997619085,3.16510927,520.0,-51.48091453,-7.354416361428571,"{'tags': ['Dineodymium copper tetraoxide', 'Dineodymium copper oxide', 'Dineodymium cuprate', 'High pressure experimental phase']}",-51.48091453,-7.354416361428571,-2.971653917142857,"['xas', 'elasticity', 'bandstructure']",True,"[261376, 203228, 160629, 261375, 69479, 186590, 4203, 75830, 75825, 202885, 203229, 71181, 82067, 75828, 69886, 75826, 75829, 75824, 75827, 69482, 86752]",True,2021-05-12 10:56:20.740000,NM,7,11,mp-4158,oxide,Nd2CuO4,"{'functional': 'PBE', 'labels': ['Nd_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Nd': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-4158,"['mp-670050', 'mp-660368', 'mp-4158', 'mp-1078016', 'mp-1173374', 'mp-1440751', 'mp-1668619', 'mp-1797319', 'mp-1588086', 'mp-1590518', 'mp-688505']",0.0084899,"{'Nd': 2.0, 'Cu': 1.0, 'O': 4.0}",97.4899480873212,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",8.708487558528232e-05,0.0084899,0,0.0084899,MP,data/source/MP/cleaned/cifs/MP-mp-4158.cif,True,,data/final/MP/graphs/Ce0.18Cu1Nd1.82O4-MP-mp-4158-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Au1In2,1,0.0,1.0,True,Au1In2,Au1In2,0.22,Other,True,Au33.333In66.667,Au-In,2,Supercon,Au1In2,MP-mp-22154,In2Au1,Au-In,Au33.333In66.667,F m -3 m,cubic,4.73270953,4.73270953,4.732709529999999,data/final/MP/cifs/Au1In2-MP-mp-22154.cif,data/source/MP/raw/cifs/mp-22154.cif,mp-22154,0.0,,2014-02-21 07:40:59,9.450570171425827,10.17188/1197382,"@misc{osti_1197382,
    author = ""Persson, Kristin"",
    title = ""Materials Data on In2Au (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197382"",
    place = ""United States"",
    year = ""2016"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671074'}},0.0,6.28583915,520.0,-9.46337685,-3.15445895,{'tags': ['Gold indium (1/2)']},-9.46337685,-3.15445895,-0.2287092833333333,"['xas', 'elasticity', 'bandstructure']",True,"[58489, 612012, 58490, 612029, 612033, 612023]",True,2021-05-12 10:56:16.728000,NM,3,8,mp-22154,,In2Au,"{'functional': 'PBE', 'labels': ['In_d', 'Au'], 'pot_type': 'paw'}","{'In': 2.0, 'Au': 1.0}",GGA,mp-22154,"['mp-991990', 'mp-992168', 'mp-22154', 'mp-1439999', 'mp-1671074', 'mp-1799139', 'mp-993798', 'mp-1588536']",0.0002478,"{'In': 2.0, 'Au': 1.0}",74.95740668412449,[],NM,False,225,0,"[0, 0, 0]",3.305877443762772e-06,0.0002478,0,0.0002478,MP,data/source/MP/cleaned/cifs/MP-mp-22154.cif,False,,data/final/MP/graphs/Au1In2-MP-mp-22154.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Bi1Ca0.5Cu2Pb1Sr2Y0.5O8,1,0.0,4.0,False,Bi4Ca2Cu8Pb4Sr8Y2O32,Bi4Ca2Cu8Pb4Sr8Y2O32,85.0,Cuprate,True,Bi6.667Ca3.333Cu13.333Pb6.667Sr13.333Y3.333O53.333333333333336,Bi-Ca-Cu-Pb-Sr-Y-O,7,Supercon,Bi1Pb1Sr2Y0.5Ca0.5Cu2O8,MP-mp-1218870,Sr8Ca2Y2Cu8Bi4Pb4O32,Bi-Ca-Cu-Pb-Sr-Y-O,Bi6.667Ca3.333Cu13.333Pb6.667Sr13.333Y3.333O53.333333333333336,P 1 2/c 1,monoclinic,5.393147,5.46205321,31.57964053,data/final/MP/cifs/Bi1Ca0.5Cu2Pb1Sr2Y0.5O8-MP-mp-1218870.cif,data/source/MP/raw/cifs/mp-1218870.cif,mp-1218870,0.0,,2019-01-12 19:58:05.080000,6.504642892556258,,,,0.0174792517343735,3.51648169,520.0,-359.0010128,-5.983350213333334,{'tags': []},-359.0010128,-5.983350213333334,-2.1497632024444444,[],False,[],True,2021-05-12 11:00:42.526000,NM,60,2,mp-1218870,oxide,Sr4CaYCu4Bi2(PbO8)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Y_sv', 'Cu_pv', 'Bi', 'Pb_d', 'O'], 'pot_type': 'paw'}","{'Sr': 4.0, 'Ca': 1.0, 'Y': 1.0, 'Cu': 4.0, 'Bi': 2.0, 'Pb': 2.0, 'O': 16.0}",GGA,mp-1218870,"['mp-1218870', 'mp-1894487']",0.0660297,"{'Sr': 8.0, 'Ca': 2.0, 'Y': 2.0, 'Cu': 8.0, 'Bi': 4.0, 'Pb': 4.0, 'O': 32.0}",930.2587864724716,[],NM,False,13,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001419598523769,0.0660297,0,0.1320594,MP,data/source/MP/cleaned/cifs/MP-mp-1218870.cif,False,,data/final/MP/graphs/Bi1Ca0.5Cu2Pb1Sr2Y0.5O8-MP-mp-1218870.json,0,True,2/m,0,0,3,0,0,0,0,1,0,0,0,1.0,False
Bi2Ca1Cu1.988Ni0.012Sr2O8,2,0.0016,2.0,False,Bi4Ca2Cu3.976Ni0.024Sr4O16,Bi4Ca2Cu4Sr4O16,92.55,Cuprate,True,Bi13.333Ca6.667Cu13.253Ni0.08Sr13.333O53.333333333333336,Bi-Ca-Cu-Ni-Sr-O,6,Supercon,Bi2Sr2Ca1Cu1.988Ni0.012O8,MP-mp-1218930,Sr4Ca2Cu4Bi4O16,Bi-Ca-Cu-Sr-O,Bi13.333Ca6.667Cu13.333Sr13.333O53.333333333333336,C c c 2,orthorhombic,5.417115,5.472898000129128,16.11398919,data/final/MP/cifs/Bi2Ca1Cu1.988Ni0.012Sr2O8-MP-mp-1218930-synth_doped.cif,data/source/MP/raw/cifs/mp-1218930.cif,mp-1218930,0.0,,2019-01-12 20:01:06.544000,6.266668983881059,,,,0.039252223722225,4.51768334,520.0,-173.15021002,-5.771673667333333,{'tags': []},-173.15021002,-5.771673667333333,-2.074956548222222,[],False,[],True,2021-05-12 11:00:42.526000,NM,30,3,mp-1218930,oxide,Sr2CaCu2(BiO4)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'O': 8.0}",GGA,mp-1218930,"['mp-1218930', 'mp-1359698', 'mp-1817714']",0.00011165,"{'Sr': 4.0, 'Ca': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'O': 16.0}",470.7976286073367,[],NM,False,37,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.743014544498498e-07,0.00011165,0,0.0002233,MP,data/source/MP/cleaned/cifs/MP-mp-1218930.cif,True,,data/final/MP/graphs/Bi2Ca1Cu1.988Ni0.012Sr2O8-MP-mp-1218930-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
B2Ca1Ir2,1,0.0,2.0,False,B4Ca2Ir4,B4Ca2Ir4,0.0,Other,True,B40Ca20Ir40,B-Ca-Ir,3,Supercon,Ca1Ir2B2,MP-mp-14445,Ca2B4Ir4,B-Ca-Ir,B40Ca20Ir40,F d d d,orthorhombic,5.525604595851772,5.5256046,6.1578937,data/final/MP/cifs/B2Ca1Ir2-MP-mp-14445.cif,data/source/MP/raw/cifs/mp-14445.cif,mp-14445,0.0,,2011-05-28 22:53:49,9.914499921527913,10.17188/1190684,"@misc{osti_1190684,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ca(BIr)2 (SG:70) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1190684"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702953'}},0.0,6.14006768,520.0,-72.90267726,-7.290267726000001,{'tags': ['Calcium diiridium(II) boride']},-72.90267726,-7.290267726000001,-0.6820188736666666,"['xas', 'bandstructure']",True,[49738],True,2021-05-12 10:56:53.126000,NM,10,8,mp-14445,,Ca(BIr)2,"{'functional': 'PBE', 'labels': ['Ca_sv', 'B', 'Ir'], 'pot_type': 'paw'}","{'Ca': 1.0, 'B': 2.0, 'Ir': 2.0}",GGA,mp-14445,"['mp-931414', 'mp-915890', 'mp-932367', 'mp-14445', 'mp-1421814', 'mp-1702953', 'mp-1781254', 'mp-1602137']",0.00389,"{'Ca': 2.0, 'B': 4.0, 'Ir': 4.0}",149.44232019810374,[],NM,False,70,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.206021955284604e-05,0.00389,0,0.00778,MP,data/source/MP/cleaned/cifs/MP-mp-14445.cif,False,,data/final/MP/graphs/B2Ca1Ir2-MP-mp-14445.json,0,True,mmm,0,0,0,7,0,0,0,0,0,0,1,1.0,False
C2Pt1U2,1,0.0,1.0,True,C2Pt1U2,C2Pt1U2,1.465,Heavy_fermion,True,C40Pt20U40,C-Pt-U,3,Supercon,U2Pt1C2,MP-mp-1068685,U2Pt1C2,C-Pt-U,C40Pt20U40,I 4/m m m,tetragonal,3.523293998450595,3.523293998450595,6.73411484,data/final/MP/cifs/C2Pt1U2-MP-mp-1068685.cif,data/source/MP/raw/cifs/mp-1068685.cif,mp-1068685,0.0,,2018-03-21 23:31:09,14.863441200395862,,,{'GGA': {'task_id': 'mp-1678129'}},0.0,10.58963566,520.0,-48.59510218,-9.719020436,"{'tags': ['U2PtC2', 'Platinum uranium carbide (1/2/2)', 'Uranium platinum carbide (2/1/2)', 'Na2HgO2']}",-48.59510218,-9.719020436,-0.2975626099999999,['bandstructure'],True,"[618656, 618660, 618659]",True,2021-05-12 10:58:14.654000,FM,5,16,mp-1068685,,U2PtC2,"{'functional': 'PBE', 'labels': ['U', 'Pt', 'C'], 'pot_type': 'paw'}","{'U': 2.0, 'Pt': 1.0, 'C': 2.0}",GGA,mp-1068685,"['mp-1068685', 'mp-1068739', 'mp-1068893', 'mp-1070007', 'mp-1070048', 'mp-1070082', 'mp-1070138', 'mp-1070185', 'mp-1070251', 'mp-1437934', 'mp-1678129', 'mp-1798891', 'mp-1591066', 'mp-1070208', 'mp-1070148', 'mp-1068837']",2.8448974,"{'U': 2.0, 'Pt': 1.0, 'C': 2.0}",77.66342053028113,[],FM,True,139,1,"[1.3, 1.3, 0.0, 0.0, 0.0]",0.0366311112821868,2.8448974,2,2.8448974,MP,data/source/MP/cleaned/cifs/MP-mp-1068685.cif,False,,data/final/MP/graphs/C2Pt1U2-MP-mp-1068685.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Dy1Ga6,1,0.0,2.0,False,Dy2Ga12,Dy2Ga12,2.95,Other,True,Dy14.286Ga85.714,Dy-Ga,2,Supercon,Dy1Ga6,MP-mp-1104534,Dy2Ga12,Dy-Ga,Dy14.286Ga85.714,P 4/n b m,tetragonal,6.014688,6.014688,7.580762,data/final/MP/cifs/Dy1Ga6-MP-mp-1104534.cif,data/source/MP/raw/cifs/mp-1104534.cif,mp-1104534,0.0,,2018-07-18 22:17:45,7.033881447311969,,,{'GGA': {'task_id': 'mp-1669331'}},0.0086534353571434,3.83553945,520.0,-49.72947652,-3.552105465714285,{'tags': ['Dysprosium gallide (1/6)']},-49.72947652,-3.552105465714285,-0.2984821835714284,['bandstructure'],True,[629705],True,2021-05-12 10:58:20.361000,NM,14,4,mp-1104534,,DyGa6,"{'functional': 'PBE', 'labels': ['Dy_3', 'Ga_d'], 'pot_type': 'paw'}","{'Dy': 1.0, 'Ga': 6.0}",GGA,mp-1104534,"['mp-1104534', 'mp-1416467', 'mp-1669331', 'mp-1597906']",4.82e-05,"{'Dy': 2.0, 'Ga': 12.0}",274.24522224053135,[],NM,False,125,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.515102258206372e-07,4.82e-05,0,9.64e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1104534.cif,False,,data/final/MP/graphs/Dy1Ga6-MP-mp-1104534.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
C2Cu0.15La1Ni0.85,3,0.075,1.0,True,C2Cu0.15La1Ni0.85,C2La1Ni1,3.31,Other,True,C50Cu3.75La25Ni21.25,C-Cu-La-Ni,4,Supercon,La1Ni0.85Cu0.15C2,MP-mp-1018048,La1Ni1C2,C-La-Ni,C50La25Ni25,A m m 2,orthorhombic,3.82731293,3.82731293,3.977635,data/final/MP/cifs/C2Cu0.15La1Ni0.85-MP-mp-1018048-synth_doped.cif,data/source/MP/raw/cifs/mp-1018048.cif,mp-1018048,0.0,,2017-04-06 23:27:44,6.5955568384756855,10.17188/1350127,"@article{osti_1350127,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaNiC2 (SG:38) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1350127"",
    place = ""United States"",
    year = ""2017"",
    month = ""4""
}
",{'GGA': {'task_id': 'mp-1697101'}},0.0,8.87914765,520.0,-30.18892584,-7.54723146,"{'tags': ['LaNiC2', 'Lanthanum nickel carbide (1/1/2)', 'CeNiC2']}",-30.18892584,-7.54723146,-0.2548051637499995,"['bandstructure', 'elasticity']",True,[618179],True,2021-05-12 10:56:08.727000,NM,4,12,mp-1018048,,LaNiC2,"{'functional': 'PBE', 'labels': ['La', 'Ni_pv', 'C'], 'pot_type': 'paw'}","{'La': 1.0, 'Ni': 1.0, 'C': 2.0}",GGA,mp-1018048,"['mp-1018048', 'mp-1018270', 'mp-1018463', 'mp-1067001', 'mp-1067047', 'mp-1067181', 'mp-1115476', 'mp-1412950', 'mp-1697101', 'mp-1783297', 'mp-1594865', 'mp-1067093']",0.005804,"{'La': 1.0, 'Ni': 1.0, 'C': 2.0}",55.79651958097468,[],NM,False,38,0,"[0.0, -0.0, 0.0, 0.0]",0.0001040208250189,0.005804,0,0.005804,MP,data/source/MP/cleaned/cifs/MP-mp-1018048.cif,True,,data/final/MP/graphs/C2Cu0.15La1Ni0.85-MP-mp-1018048-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
Hg1Pb1.8,2,0.0476190476190475,1.0,True,Hg1Pb1.8,Hg1Pb2,5.7,Other,True,Hg35.714Pb64.286,Hg-Pb,2,Supercon,Hg1Pb1.8,MP-mp-1223969,Hg1Pb2,Hg-Pb,Hg33.333Pb66.667,C 1 2/m 1,monoclinic,3.5087683499999995,3.50876835,8.56737949,data/final/MP/cifs/Hg1Pb1.8-MP-mp-1223969-synth_doped.cif,data/source/MP/raw/cifs/mp-1223969.cif,mp-1223969,0.0,,2019-01-13 00:17:15.122000,11.052462588233434,,,{'GGA': {'task_id': 'mp-1736380'}},0.0330006883333329,5.1677822,520.0,-7.62997244,-2.543324146666667,{'tags': []},-7.62997244,-2.543324146666667,0.0330006883333332,['bandstructure'],True,[],True,2021-05-12 10:58:45.495000,NM,3,5,mp-1223969,,HgPb2,"{'functional': 'PBE', 'labels': ['Hg', 'Pb_d'], 'pot_type': 'paw'}","{'Hg': 1.0, 'Pb': 2.0}",GGA,mp-1223969,"['mp-1223969', 'mp-1414700', 'mp-1736380', 'mp-1796469', 'mp-1613624']",0.0054305,"{'Hg': 1.0, 'Pb': 2.0}",92.39704838770773,[],NM,False,12,0,"[0, 0, 0]",5.8773522474582216e-05,0.0054305,0,0.0054305,MP,data/source/MP/cleaned/cifs/MP-mp-1223969.cif,True,,data/final/MP/graphs/Hg1Pb1.8-MP-mp-1223969-synth_doped.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
Si0.22V0.78,3,0.06,8.0,False,Si1.76V6.24,Si2V6,14.38,Other,True,Si22V78,Si-V,2,Supercon,Si0.22V0.78,MP-mp-2567,V6Si2,Si-V,Si25V75,P m -3 n,cubic,4.702381,4.702381,4.702381,data/final/MP/cifs/Si0.22V0.78-MP-mp-2567-synth_doped.cif,data/source/MP/raw/cifs/mp-2567.cif,mp-2567,0.0,,2011-05-13 19:15:43,5.778142190030859,10.17188/1200874,"@misc{osti_1200874,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Si (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200874"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668672'}},0.0,7.30599425,520.0,-69.05773321,-8.63221665125,{'tags': ['Vanadium silicide (3/1)']},-69.05773321,-8.63221665125,-0.4452085937499994,"['xas', 'elasticity', 'bandstructure']",True,"[652491, 87328, 652522, 652502, 652510, 652520, 600518, 186003, 652507, 652513, 652497, 601150, 652514, 652487, 22412, 652509, 652529, 652532, 652499, 652539, 652537, 652533, 652512, 652538, 652490, 652493, 652494, 652511, 652519, 87329, 652526, 652500]",True,2021-05-12 10:56:18.721000,FM,8,13,mp-2567,,V3Si,"{'functional': 'PBE', 'labels': ['V_pv', 'Si'], 'pot_type': 'paw'}","{'V': 3.0, 'Si': 1.0}",GGA,mp-2567,"['mp-920081', 'mp-906309', 'mp-919083', 'mp-2567', 'mp-1078474', 'mp-1078852', 'mp-1138781', 'mp-1145907', 'mp-1440678', 'mp-1668672', 'mp-1795955', 'mp-1593554', 'mp-1596575']",0.8382519,"{'V': 6.0, 'Si': 2.0}",103.98086881866836,[],FM,True,131,1,"[0.2, 0.3, 0.3, 0.2, 0.3, 0.3, 0.0, 0.0]",0.0161231947669493,0.8382519,6,1.6765038,MP,data/source/MP/cleaned/cifs/MP-mp-2567.cif,True,,data/final/MP/graphs/Si0.22V0.78-MP-mp-2567-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Bi2Ca1Cu2Sr2O8.199,2,0.0122201021997061,1.9513914989632883,False,Bi3.903Ca1.951Cu3.903Sr3.903O16,Bi4Ca2Cu4Sr4O16,70.0,Cuprate,True,Bi13.159Ca6.579Cu13.159Sr13.159O53.94433844331864,Bi-Ca-Cu-Sr-O,5,Supercon,Bi2Sr2Ca1Cu2O8.199,MP-mp-1218930,Sr4Ca2Cu4Bi4O16,Bi-Ca-Cu-Sr-O,Bi13.333Ca6.667Cu13.333Sr13.333O53.333333333333336,C c c 2,orthorhombic,5.417115,5.472898000129128,16.11398919,data/final/MP/cifs/Bi2Ca1Cu2Sr2O8.199-MP-mp-1218930-synth_doped.cif,data/source/MP/raw/cifs/mp-1218930.cif,mp-1218930,0.0,,2019-01-12 20:01:06.544000,6.266668983881059,,,,0.039252223722225,4.51768334,520.0,-173.15021002,-5.771673667333333,{'tags': []},-173.15021002,-5.771673667333333,-2.074956548222222,[],False,[],True,2021-05-12 11:00:42.526000,NM,30,3,mp-1218930,oxide,Sr2CaCu2(BiO4)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'O': 8.0}",GGA,mp-1218930,"['mp-1218930', 'mp-1359698', 'mp-1817714']",0.00011165,"{'Sr': 4.0, 'Ca': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'O': 16.0}",470.7976286073367,[],NM,False,37,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.743014544498498e-07,0.00011165,0,0.0002233,MP,data/source/MP/cleaned/cifs/MP-mp-1218930.cif,True,,data/final/MP/graphs/Bi2Ca1Cu2Sr2O8.199-MP-mp-1218930-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
La1Rh2Si2,1,0.0,1.0,True,La1Rh2Si2,La1Rh2Si2,1.658,Other,True,La20Rh40Si40,La-Rh-Si,3,Supercon,La1Rh2Si2,MP-mp-5936,La1Si2Rh2,La-Rh-Si,La20Rh40Si40,I 4/m m m,tetragonal,4.145312000500234,4.145312000500234,5.9491416,data/final/MP/cifs/La1Rh2Si2-MP-mp-5936.cif,data/source/MP/raw/cifs/mp-5936.cif,mp-5936,0.0,,2011-05-13 03:42:03,7.483174049987793,10.17188/1277191,"@misc{osti_1277191,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La(SiRh)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277191"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668260'}},0.0,8.62917465,520.0,-35.8814127,-7.17628254,{'tags': ['Lanthanum rhodium silicide (1/2/2)']},-35.8814127,-7.17628254,-1.044832362999999,"['xas', 'bandstructure']",True,"[603880, 641750, 601614, 604623, 641747, 601417, 641752]",True,2021-05-12 10:57:26.891000,NM,5,11,mp-5936,,La(SiRh)2,"{'functional': 'PBE', 'labels': ['La', 'Si', 'Rh_pv'], 'pot_type': 'paw'}","{'La': 1.0, 'Si': 2.0, 'Rh': 2.0}",GGA,mp-5936,"['mp-5936', 'mp-1007514', 'mp-1001140', 'mp-1124886', 'mp-1136254', 'mp-1262233', 'mp-1440140', 'mp-1668260', 'mp-1798846', 'mp-1012277', 'mp-1595027']",0.0020659,"{'La': 1.0, 'Si': 2.0, 'Rh': 2.0}",88.95814807976053,[],NM,False,139,0,"[0, 0, 0, 0, 0]",2.32232802120352e-05,0.0020659,0,0.0020659,MP,data/source/MP/cleaned/cifs/MP-mp-5936.cif,False,,data/final/MP/graphs/La1Rh2Si2-MP-mp-5936.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ge13Lu3Os4,1,0.0,2.0,False,Ge26Lu6Os8,Ge26Lu6Os8,3.6,Other,True,Ge65Lu15Os20,Ge-Lu-Os,3,Supercon,Lu3Os4Ge13,MP-mp-1203141,Lu6Ge26Os8,Ge-Lu-Os,Ge65Lu15Os20,P m -3 n,cubic,9.016463,9.016463,9.016463,data/final/MP/cifs/Ge13Lu3Os4-MP-mp-1203141.cif,data/source/MP/raw/cifs/mp-1203141.cif,mp-1203141,0.0,,2019-01-12 07:03:03.548000,10.104220163787089,,,,0.0160647023749991,4.83954813,520.0,-249.55674777,-6.23891869425,{'tags': ['Lutetium osmium germanide (3/4/13)']},-249.55674777,-6.23891869425,-0.3103347594999995,[],False,[636927],True,2021-05-12 11:00:12.709000,NM,40,3,mp-1203141,,Lu3Ge13Os4,"{'functional': 'PBE', 'labels': ['Lu_3', 'Ge_d', 'Os_pv'], 'pot_type': 'paw'}","{'Lu': 3.0, 'Ge': 13.0, 'Os': 4.0}",GGA,mp-1203141,"['mp-1203141', 'mp-1378258', 'mp-1936155']",0.0071147,"{'Lu': 6.0, 'Ge': 26.0, 'Os': 8.0}",733.0078312819359,[],NM,False,223,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",1.9412343760522475e-05,0.0071147,0,0.0142294,MP,data/source/MP/cleaned/cifs/MP-mp-1203141.cif,False,,data/final/MP/graphs/Ge13Lu3Os4-MP-mp-1203141.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
As2Ba0.82Fe2K0.18,3,0.0613333333333333,3.0,False,As6Ba2.46Fe6K0.54,As6Ba2Fe6K1,10.5,Ferrite,True,As40Ba16.4Fe40K3.6,As-Ba-Fe-K,4,Supercon,Ba0.82K0.18Fe2As2,MP-mp-1223567,K1Ba2Fe6As6,As-Ba-Fe-K,As40Ba13.333Fe40K6.667,C 1 2/m 1,monoclinic,5.48060788,7.102799640000001,8.784942288492543,data/final/MP/cifs/As2Ba0.82Fe2K0.18-MP-mp-1223567-synth_doped.cif,data/source/MP/raw/cifs/mp-1223567.cif,mp-1223567,0.0,,2019-01-12 23:56:38.667000,6.101417464045543,,,,0.0186882046666676,4.38014394,520.0,-90.51509253,-6.034339502,{'tags': []},-90.51509253,-6.034339502,-0.4527993862000007,[],False,[],True,2021-05-12 11:00:52.054000,FM,15,4,mp-1223567,,KBa2(FeAs)6,"{'functional': 'PBE', 'labels': ['K_sv', 'Ba_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'K': 1.0, 'Ba': 2.0, 'Fe': 6.0, 'As': 6.0}",GGA,mp-1223567,"['mp-1223567', 'mp-1374097', 'mp-1656306', 'mp-1808539']",1.3326448,"{'K': 1.0, 'Ba': 2.0, 'Fe': 6.0, 'As': 6.0}",298.92336486922324,[],FM,True,12,2,"[0.0, 0.0, 0.0, 0.3, 0.3, 0.1, 0.3, 0.1, 0.3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0044581486649028,1.3326448,6,1.3326448,MP,data/source/MP/cleaned/cifs/MP-mp-1223567.cif,True,,data/final/MP/graphs/As2Ba0.82Fe2K0.18-MP-mp-1223567-synth_doped.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
Gd0.048In1La2.952,2,0.024,1.0,True,Gd0.048In1La2.952,In1La3,3.48,Other,True,Gd1.2In25La73.8,Gd-In-La,3,Supercon,La2.952Gd0.048In1,MP-mp-20909,La3In1,In-La,In25La75,P m -3 m,cubic,5.076766,5.076766,5.076766,data/final/MP/cifs/Gd0.048In1La2.952-MP-mp-20909-synth_doped.cif,data/source/MP/raw/cifs/mp-20909.cif,mp-20909,0.0,,2014-02-21 06:52:52,6.7455760598452565,10.17188/1196104,"@misc{osti_1196104,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La3In (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196104"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671685'}},0.0,8.16935076,520.0,-18.73796121,-4.6844903025,"{'tags': ['Indium lanthanum (1/3)', 'Lanthanum indium (3/1)']}",-18.73796121,-4.6844903025,-0.2945640412500001,"['xas', 'bandstructure']",True,"[639844, 51950, 639851, 639840, 603208, 107019]",True,2021-05-12 10:56:57.051000,NM,4,8,mp-20909,,La3In,"{'functional': 'PBE', 'labels': ['La', 'In_d'], 'pot_type': 'paw'}","{'La': 3.0, 'In': 1.0}",GGA,mp-20909,"['mp-906743', 'mp-921394', 'mp-920373', 'mp-20909', 'mp-1476042', 'mp-1671685', 'mp-1778647', 'mp-1590323']",0.0489742,"{'La': 3.0, 'In': 1.0}",130.84629766481785,[],NM,False,221,0,"[0, 0, 0, 0]",0.0003742880071811,0.0489742,0,0.0489742,MP,data/source/MP/cleaned/cifs/MP-mp-20909.cif,True,,data/final/MP/graphs/Gd0.048In1La2.952-MP-mp-20909-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cr1Sb1,1,0.0,2.0,False,Cr2Sb2,Cr2Sb2,0.0,Other,True,Cr50Sb50,Cr-Sb,2,Supercon,Cr1Sb1,MP-mp-1641,Cr2Sb2,Cr-Sb,Cr50Sb50,P 63/m m c,hexagonal,4.017568002223332,4.01756718,5.89025,data/final/MP/cifs/Cr1Sb1-MP-mp-1641.cif,data/source/MP/raw/cifs/mp-1641.cif,mp-1641,0.0,,2011-05-12 21:05:43,7.008554255803608,10.17188/1191856,"@misc{osti_1191856,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CrSb (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191856"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672938'}},0.0276497737500003,7.20682487,520.0,-27.17352055,-6.7933801375,{'tags': ['Chromium antimonide']},-27.17352055,-6.7933801375,0.0016442175000008,"['xas', 'elasticity', 'bandstructure']",True,"[603560, 626692, 53210, 626684, 626688, 626687, 626689, 53969, 626691]",True,2021-05-12 10:56:14.760000,FM,4,8,mp-1641,,CrSb,"{'functional': 'PBE', 'labels': ['Cr_pv', 'Sb'], 'pot_type': 'paw'}","{'Cr': 1.0, 'Sb': 1.0}",GGA,mp-1641,"['mp-926949', 'mp-910690', 'mp-926414', 'mp-1641', 'mp-1442013', 'mp-1672938', 'mp-1801208', 'mp-1595578']",2.84592985,"{'Cr': 2.0, 'Sb': 2.0}",82.33617992502029,[],FM,True,194,1,"[2.9, 2.9, -0.0, -0.0]",0.0691295091074581,2.84592985,2,5.6918597,MP,data/source/MP/cleaned/cifs/MP-mp-1641.cif,False,,data/final/MP/graphs/Cr1Sb1-MP-mp-1641.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ce0.077In1La2.923,2,0.0384999999999999,1.0,True,Ce0.077In1La2.923,In1La3,4.02,Other,True,Ce1.925In25La73.075,Ce-In-La,3,Supercon,La2.9234Ce0.0766In1,MP-mp-20909,La3In1,In-La,In25La75,P m -3 m,cubic,5.076766,5.076766,5.076766,data/final/MP/cifs/Ce0.077In1La2.923-MP-mp-20909-synth_doped.cif,data/source/MP/raw/cifs/mp-20909.cif,mp-20909,0.0,,2014-02-21 06:52:52,6.7455760598452565,10.17188/1196104,"@misc{osti_1196104,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La3In (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196104"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671685'}},0.0,8.16935076,520.0,-18.73796121,-4.6844903025,"{'tags': ['Indium lanthanum (1/3)', 'Lanthanum indium (3/1)']}",-18.73796121,-4.6844903025,-0.2945640412500001,"['xas', 'bandstructure']",True,"[639844, 51950, 639851, 639840, 603208, 107019]",True,2021-05-12 10:56:57.051000,NM,4,8,mp-20909,,La3In,"{'functional': 'PBE', 'labels': ['La', 'In_d'], 'pot_type': 'paw'}","{'La': 3.0, 'In': 1.0}",GGA,mp-20909,"['mp-906743', 'mp-921394', 'mp-920373', 'mp-20909', 'mp-1476042', 'mp-1671685', 'mp-1778647', 'mp-1590323']",0.0489742,"{'La': 3.0, 'In': 1.0}",130.84629766481785,[],NM,False,221,0,"[0, 0, 0, 0]",0.0003742880071811,0.0489742,0,0.0489742,MP,data/source/MP/cleaned/cifs/MP-mp-20909.cif,True,,data/final/MP/graphs/Ce0.077In1La2.923-MP-mp-20909-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Au1Na2,1,0.0,2.0,False,Au2Na4,Au2Na4,0.0,Other,True,Au33.333Na66.667,Au-Na,2,Supercon,Au1Na2,MP-mp-1363,Na4Au2,Au-Na,Au33.333Na66.667,I 4/m c m,tetragonal,5.612519998299533,5.962281460404983,5.962281460000001,data/final/MP/cifs/Au1Na2-MP-mp-1363.cif,data/source/MP/raw/cifs/mp-1363.cif,mp-1363,0.0,,2011-05-13 03:54:11,5.19474015856735,10.17188/1189694,"@misc{osti_1189694,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Na2Au (SG:140) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189694"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1695774'}},0.0,1.8797518,520.0,-13.53646866,-2.25607811,{'tags': ['Gold sodium (1/2)']},-13.53646866,-2.25607811,-0.2831007343678162,"['xas', 'bandstructure']",True,"[612180, 58527]",True,2021-05-12 10:56:53.126000,NM,6,8,mp-1363,,Na2Au,"{'functional': 'PBE', 'labels': ['Na_pv', 'Au'], 'pot_type': 'paw'}","{'Na': 2.0, 'Au': 1.0}",GGA,mp-1363,"['mp-928153', 'mp-912060', 'mp-928674', 'mp-1363', 'mp-1433625', 'mp-1695774', 'mp-1789674', 'mp-1593445']",1.41e-05,"{'Na': 4.0, 'Au': 2.0}",155.31922304773934,[],NM,False,140,0,"[0, 0, 0, 0, 0, 0]",1.8156155720230697e-07,1.41e-05,0,2.82e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1363.cif,False,,data/final/MP/graphs/Au1Na2-MP-mp-1363.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
W3O1,1,0.0,2.0,False,W6O2,W6O2,1.675,Oxide,True,W75O25,W-O,2,Supercon,O1W3,MP-mp-21369,W6O2,W-O,W75O25,P m -3 n,cubic,4.980141,4.980141,4.980141,data/final/MP/cifs/W3O1-MP-mp-21369.cif,data/source/MP/raw/cifs/mp-21369.cif,mp-21369,0.0,,2013-05-23 03:51:04,15.259309735592932,,,{'GGA+U': {'task_id': 'mp-1695017'}},3.1054197331249984,6.66658524,520.0,-40.90864998,-5.1135812475,"{'tags': ['Tungsten oxide (3/1)', 'Tungsten - beta']}",-40.90864998,-5.1135812475,2.3417538562499995,"['xas', 'bandstructure']",True,"[150496, 52344]",True,2021-05-12 10:57:01.079000,NM,8,14,mp-21369,oxide,W3O,"{'functional': 'PBE', 'labels': ['W_pv', 'O'], 'pot_type': 'paw'}","{'W': 3.0, 'O': 1.0}",GGA+U,mp-21369,"['mp-905348', 'mp-870458', 'mp-870937', 'mp-715501', 'mp-918557', 'mp-919548', 'mp-600834', 'mp-25174', 'mp-21369', 'mp-1422275', 'mp-1695017', 'mp-1786902', 'mp-1595599', 'mp-871127']",0.0112753,"{'W': 6.0, 'O': 2.0}",123.51648286622492,[],NM,False,223,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.000182571584591,0.0112753,0,0.0225506,MP,data/source/MP/cleaned/cifs/MP-mp-21369.cif,False,,data/final/MP/graphs/W3O1-MP-mp-21369.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Cu1Hg1O4.085,2,0.0105132962275819,0.979048041615667,True,Ba1.958Cu0.979Hg0.979O4,Ba2Cu1Hg1O4,92.0,Cuprate,True,Ba24.737Cu12.369Hg12.369O50.525664811379094,Ba-Cu-Hg-O,4,Supercon,Hg1Ba2Cu1O4.085,MP-mp-6562,Ba2Cu1Hg1O4,Ba-Cu-Hg-O,Ba25Cu12.5Hg12.5O50,P 4/m m m,tetragonal,3.933714,3.933714,9.827602,data/final/MP/cifs/Ba2Cu1Hg1O4.085-MP-mp-6562-synth_doped.cif,data/source/MP/raw/cifs/mp-6562.cif,mp-6562,0.0,,2011-05-13 18:18:06,6.582036471328142,10.17188/1281336,"@misc{osti_1281336,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2CuHgO4 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281336"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697135'}},0.0234340381250053,2.58068675,520.0,-40.91481298,-5.1143516225,"{'tags': ['Mercury dibarium copper oxide', 'High pressure experimental phase']}",-40.91481298,-5.1143516225,-1.953767533125,"['xas', 'bandstructure']",True,"[75722, 75720, 75724, 75721, 75723]",True,2021-05-12 10:57:32.679000,NM,8,8,mp-6562,oxide,Ba2CuHgO4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Cu_pv', 'Hg', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",GGA,mp-6562,"['mp-6562', 'mp-990899', 'mp-992892', 'mp-1435690', 'mp-1697135', 'mp-1878488', 'mp-994198', 'mp-1592659']",0.0003984,"{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",152.07335344042525,[],NM,False,123,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.619788352047311e-06,0.0003984,0,0.0003984,MP,data/source/MP/cleaned/cifs/MP-mp-6562.cif,True,,data/final/MP/graphs/Ba2Cu1Hg1O4.085-MP-mp-6562-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As1Fe0.8Nd1Rh0.2O1,3,0.0999999999999999,2.0,False,As2Fe1.6Nd2Rh0.4O2,As2Fe2Nd2O2,10.0,Ferrite,True,As25Fe20Nd25Rh5O25,As-Fe-Nd-Rh-O,5,Supercon,Nd1Fe0.8Rh0.2As1O1,MP-mp-622621,Nd2Fe2As2O2,As-Fe-Nd-O,As25Fe25Nd25O25,P 4/n m m,tetragonal,4.074653,4.074653,9.170967,data/final/MP/cifs/As1Fe0.8Nd1Rh0.2O1-MP-mp-622621-synth_doped.cif,data/source/MP/raw/cifs/mp-622621.cif,mp-622621,0.0,,2014-02-16 22:28:25,6.347279619112142,10.17188/1278150,"@misc{osti_1278150,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NdFeAsO (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278150"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1677677'}},0.2809314202083302,3.74777613,520.0,-52.70842543,-6.58855317875,{'tags': ['Neodymium iron arsenic oxide (1/1/1/1)']},-52.70842543,-6.58855317875,-1.61299541125,"['xas', 'bandstructure']",True,"[163547, 164679, 422001, 163546, 236651, 236650, 602466, 164680, 164676]",True,2021-05-12 10:57:28.836000,FM,8,8,mp-622621,oxide,NdFeAsO,"{'functional': 'PBE', 'labels': ['Nd_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Nd': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-622621,"['mp-622621', 'mp-1079381', 'mp-1173401', 'mp-1438697', 'mp-1677677', 'mp-1772072', 'mp-1926310', 'mp-1592869']",3.83954265,"{'Nd': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",152.26370404041757,[],FM,True,129,1,"[0.0, 0.0, 3.6, 3.6, -0.0, -0.0, -0.0, -0.0]",0.0504328024094411,3.83954265,2,7.6790853,MP,data/source/MP/cleaned/cifs/MP-mp-622621.cif,True,,data/final/MP/graphs/As1Fe0.8Nd1Rh0.2O1-MP-mp-622621-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
K1La1Nb2O7,1,0.0,1.0,True,K1La1Nb2O7,K1La1Nb2O7,0.0,Oxide,True,K9.091La9.091Nb18.182O63.63636363636364,K-La-Nb-O,4,Supercon,K1La1Nb2O7,MP-mp-1223501,K1La1Nb2O7,K-La-Nb-O,K9.091La9.091Nb18.182O63.63636363636364,A m m 2,orthorhombic,3.932702,3.9458,11.356398780170291,data/final/MP/cifs/K1La1Nb2O7-MP-mp-1223501.cif,data/source/MP/raw/cifs/mp-1223501.cif,mp-1223501,1.4938999999999998,,2019-01-12 23:53:14.125000,4.552737698092818,,,,0.0463003013636331,1.81251684,520.0,-91.19528609,-8.290480553636364,{'tags': []},-91.19528609,-8.290480553636364,-3.1926857202727263,[],False,[],True,2021-05-12 11:00:52.054000,NM,11,2,mp-1223501,oxide,KLaNb2O7,"{'functional': 'PBE', 'labels': ['K_sv', 'La', 'Nb_pv', 'O'], 'pot_type': 'paw'}","{'K': 1.0, 'La': 1.0, 'Nb': 2.0, 'O': 7.0}",GGA,mp-1223501,"['mp-1223501', 'mp-1831830']",0.0001714,"{'K': 1.0, 'La': 1.0, 'Nb': 2.0, 'O': 7.0}",173.54502163960666,[],NM,False,38,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",9.87639970197122e-07,0.0001714,0,0.0001714,MP,data/source/MP/cleaned/cifs/MP-mp-1223501.cif,False,,data/final/MP/graphs/K1La1Nb2O7-MP-mp-1223501.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
Nb3P1,1,0.0,8.0,False,Nb24P8,Nb24P8,2.0,Other,True,Nb75P25,Nb-P,2,Supercon,Nb3P1,MP-mp-505528,Nb24P8,Nb-P,Nb75P25,P 42/n,tetragonal,5.121194,10.202318,10.202318,data/final/MP/cifs/Nb3P1-MP-mp-505528.cif,data/source/MP/raw/cifs/mp-505528.cif,mp-505528,0.0,,2014-03-10 16:06:50,7.717939963136681,10.17188/1262570,"@misc{osti_1262570,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3P (SG:86) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1262570"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1753746'}},0.0,6.62904356,520.0,-306.12498454,-9.566405766875,{'tags': ['Niobium phosphide (3/1)']},-306.12498454,-9.566405766875,-0.6371013602083337,"['xas', 'bandstructure']",True,"[43206, 645166]",True,2021-05-12 10:57:08.928000,NM,32,9,mp-505528,,Nb3P,"{'functional': 'PBE', 'labels': ['Nb_pv', 'P'], 'pot_type': 'paw'}","{'Nb': 3.0, 'P': 1.0}",GGA,mp-505528,"['mp-925936', 'mp-909957', 'mp-925568', 'mp-505528', 'mp-1202056', 'mp-1409472', 'mp-1753746', 'mp-1863622', 'mp-1621044']",0.0001892875,"{'Nb': 24.0, 'P': 8.0}",533.0512182017272,[],NM,False,86,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.8408151942857587e-06,0.0001892875,0,0.0015143,MP,data/source/MP/cleaned/cifs/MP-mp-505528.cif,False,,data/final/MP/graphs/Nb3P1-MP-mp-505528.json,0,True,4/m,0,0,0,0,3,0,0,1,0,0,0,1.0,False
B1Zr1,1,0.0,2.0,False,B2Zr2,B2Zr2,3.1,Other,True,B50Zr50,B-Zr,2,Supercon,B1Zr1,MP-mp-1014246,Zr2B2,B-Zr,B50Zr50,P 63/m m c,hexagonal,3.619787995694419,3.61978768,5.225519,data/final/MP/cifs/B1Zr1-MP-mp-1014246.cif,data/source/MP/raw/cifs/mp-1014246.cif,mp-1014246,0.0,,2016-12-22 15:55:05,5.714812389732113,10.17188/1337315,"@misc{osti_1337315,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrB (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1337315"",
    place = ""United States"",
    year = ""2016"",
    month = ""12"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1766259'}},0.3295982800000008,3.96744365,520.0,-32.09785829,-8.0244645725,{'tags': []},-32.09785829,-8.0244645725,-0.4109183720833327,"['bandstructure', 'elasticity']",True,[],True,2021-05-12 10:56:08.727000,NM,4,9,mp-1014246,,ZrB,"{'functional': 'PBE', 'labels': ['Zr_sv', 'B'], 'pot_type': 'paw'}","{'Zr': 1.0, 'B': 1.0}",GGA,mp-1014246,"['mp-1014246', 'mp-1014255', 'mp-1014250', 'mp-1101738', 'mp-1434906', 'mp-1766259', 'mp-1792618', 'mp-1618014', 'mp-1014259']",0.00061695,"{'Zr': 2.0, 'B': 2.0}",59.29612106425538,[],NM,False,194,0,"[0, 0, 0, 0]",2.0809118334450617e-05,0.00061695,0,0.0012339,MP,data/source/MP/cleaned/cifs/MP-mp-1014246.cif,False,,data/final/MP/graphs/B1Zr1-MP-mp-1014246.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Pt2Y1,1,0.0,2.0,False,Pt4Y2,Pt4Y2,2.835,Other,True,Pt66.667Y33.333,Pt-Y,2,Supercon,Pt2Y1,MP-mp-2674,Y2Pt4,Pt-Y,Pt66.667Y33.333,F d -3 m,cubic,5.44968752,5.44968752,5.44968752,data/final/MP/cifs/Pt2Y1-MP-mp-2674.cif,data/source/MP/raw/cifs/mp-2674.cif,mp-2674,0.0,,2011-05-13 09:35:48,13.902143086279764,10.17188/1201228,"@misc{osti_1201228,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YPt2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201228"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698444'}},0.0,6.25196746,520.0,-43.72213601,-7.287022668333333,{'tags': ['Platinum yttrium (2/1)']},-43.72213601,-7.287022668333333,-1.084260490555555,"['xas', 'elasticity', 'bandstructure']",True,"[649849, 105843, 105844, 649861]",True,2021-05-12 10:56:18.721000,NM,6,8,mp-2674,,YPt2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Pt'], 'pot_type': 'paw'}","{'Y': 1.0, 'Pt': 2.0}",GGA,mp-2674,"['mp-943069', 'mp-932800', 'mp-942071', 'mp-2674', 'mp-1438352', 'mp-1698444', 'mp-1804289', 'mp-1592002']",0.0002443,"{'Y': 2.0, 'Pt': 4.0}",114.44578562805616,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",4.269270356428229e-06,0.0002443,0,0.0004886,MP,data/source/MP/cleaned/cifs/MP-mp-2674.cif,False,,data/final/MP/graphs/Pt2Y1-MP-mp-2674.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
As1Ce1F0.1Fe1O0.9,2,0.0499999999999999,2.0,False,As2Ce2F0.2Fe2O1.8,As2Ce2Fe2O2,36.33333333,Ferrite,True,As25Ce25F2.5Fe25O22.5,As-Ce-F-Fe-O,5,Supercon,Ce1Fe1As1F0.1O0.9,MP-mp-605060,Ce2Fe2As2O2,As-Ce-Fe-O,As25Ce25Fe25O25,P 4 m m,tetragonal,3.992256,3.992256,9.041971,data/final/MP/cifs/As1Ce1F0.1Fe1O0.9-MP-mp-605060-synth_doped.cif,data/source/MP/raw/cifs/mp-605060.cif,mp-605060,0.0,,2014-02-14 20:12:08,6.611233843492404,10.17188/1277425,"@misc{osti_1277425,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeFeAsO (SG:99) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277425"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1751604'}},0.2072581873958352,6.30288445,520.0,-55.74271596,-6.967839495,{'tags': []},-55.74271596,-6.967839495,-1.7010452412499992,['bandstructure'],True,[],True,2021-05-12 10:58:51.532000,FiM,8,10,mp-605060,oxide,CeFeAsO,"{'functional': 'PBE', 'labels': ['Ce', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-605060,"['mp-605060', 'mp-917114', 'mp-918266', 'mp-919274', 'mp-1443189', 'mp-1751604', 'mp-1770633', 'mp-1779614', 'mp-1873964', 'mp-1622328']",2.99945325,"{'Ce': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",144.11191005541338,[],FiM,True,99,3,"[-0.5, -0.5, 3.5, 3.5, 0.0, 0.0, 0.0, 0.0]",0.0416267225775671,2.99945325,4,5.9989065,MP,data/source/MP/cleaned/cifs/MP-mp-605060.cif,True,,data/final/MP/graphs/As1Ce1F0.1Fe1O0.9-MP-mp-605060-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,1,0,0,0,1.0,False
As1Fe0.85Nd1Rh0.15O1,3,0.075,2.0,False,As2Fe1.7Nd2Rh0.3O2,As2Fe2Nd2O2,14.7,Ferrite,True,As25Fe21.25Nd25Rh3.75O25,As-Fe-Nd-Rh-O,5,Supercon,Nd1Fe0.85Rh0.15As1O1,MP-mp-622621,Nd2Fe2As2O2,As-Fe-Nd-O,As25Fe25Nd25O25,P 4/n m m,tetragonal,4.074653,4.074653,9.170967,data/final/MP/cifs/As1Fe0.85Nd1Rh0.15O1-MP-mp-622621-synth_doped.cif,data/source/MP/raw/cifs/mp-622621.cif,mp-622621,0.0,,2014-02-16 22:28:25,6.347279619112142,10.17188/1278150,"@misc{osti_1278150,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NdFeAsO (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278150"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1677677'}},0.2809314202083302,3.74777613,520.0,-52.70842543,-6.58855317875,{'tags': ['Neodymium iron arsenic oxide (1/1/1/1)']},-52.70842543,-6.58855317875,-1.61299541125,"['xas', 'bandstructure']",True,"[163547, 164679, 422001, 163546, 236651, 236650, 602466, 164680, 164676]",True,2021-05-12 10:57:28.836000,FM,8,8,mp-622621,oxide,NdFeAsO,"{'functional': 'PBE', 'labels': ['Nd_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Nd': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-622621,"['mp-622621', 'mp-1079381', 'mp-1173401', 'mp-1438697', 'mp-1677677', 'mp-1772072', 'mp-1926310', 'mp-1592869']",3.83954265,"{'Nd': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",152.26370404041757,[],FM,True,129,1,"[0.0, 0.0, 3.6, 3.6, -0.0, -0.0, -0.0, -0.0]",0.0504328024094411,3.83954265,2,7.6790853,MP,data/source/MP/cleaned/cifs/MP-mp-622621.cif,True,,data/final/MP/graphs/As1Fe0.85Nd1Rh0.15O1-MP-mp-622621-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ba0.016Cu1La1.984O4,2,0.0045714285714285,1.0,True,Ba0.016Cu1La1.984O4,Cu1La2O4,0.0,Cuprate,True,Ba0.229Cu14.286La28.343O57.142857142857146,Ba-Cu-La-O,4,Supercon,La1.984Ba0.016Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ba0.016Cu1La1.984O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ba0.016Cu1La1.984O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
C1Cu1Sr2O5.35,2,0.0332739156268567,0.934769859813084,True,C0.935Cu0.935Sr1.869O5,C1Cu1Sr2O5,0.0,Cuprate,True,C10.695Cu10.695Sr21.39O57.219251336898395,C-Cu-Sr-O,4,Supercon,C1Sr2Cu1O5.35,MP-mp-1218825,Sr2Cu1C1O5,C-Cu-Sr-O,C11.111Cu11.111Sr22.222O55.55555555555556,P m m 2,orthorhombic,3.705379,4.350796,7.583214,data/final/MP/cifs/C1Cu1Sr2O5.35-MP-mp-1218825-synth_doped.cif,data/source/MP/raw/cifs/mp-1218825.cif,mp-1218825,0.0,,2019-01-12 19:55:49.465000,4.493157670166839,,,{'GGA': {'task_id': 'mp-1755295'}},0.107575680277776,3.15220157,520.0,-58.85479636,-6.539421817777778,{'tags': []},-58.85479636,-6.539421817777778,-2.3161130064814817,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,9,5,mp-1218825,oxide,Sr2CuCO5,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'C', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Cu': 1.0, 'C': 1.0, 'O': 5.0}",GGA,mp-1218825,"['mp-1218825', 'mp-1398453', 'mp-1755295', 'mp-1787852', 'mp-1618896']",0.0180191,"{'Sr': 2.0, 'Cu': 1.0, 'C': 1.0, 'O': 5.0}",122.25163285105997,[],NM,False,25,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001473935323379,0.0180191,0,0.0180191,MP,data/source/MP/cleaned/cifs/MP-mp-1218825.cif,True,,data/final/MP/graphs/C1Cu1Sr2O5.35-MP-mp-1218825-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,1,0,0,0,1.0,False
Cu1La1.865Sr0.135O4,2,0.0385714285714285,1.0,True,Cu1La1.865Sr0.135O4,Cu1La2O4,33.0,Cuprate,True,Cu14.286La26.643Sr1.929O57.142857142857146,Cu-La-Sr-O,4,Supercon,La1.865Sr0.135Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La1.865Sr0.135O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La1.865Sr0.135O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Al5Re24,1,0.0,1.0,True,Al5Re24,Al5Re24,3.35,Other,True,Al17.241Re82.759,Al-Re,2,Supercon,Al5Re24,MP-mp-1192984,Al5Re24,Al-Re,Al17.241Re82.759,I -4 3 m,cubic,8.337605881848317,8.33760588,8.33760588,data/final/MP/cifs/Al5Re24-MP-mp-1192984.cif,data/source/MP/raw/cifs/mp-1192984.cif,mp-1192984,0.0,,2019-01-11 22:53:33.332000,17.13446270784569,,,{'GGA': {'task_id': 'mp-1757734'}},0.0610276051724145,7.52807497,520.0,-319.57021094,-11.019662446206896,"{'tags': ['Rhenium aluminide (24/5)', 'Ti5Re24', 'Re24Al5']}",-319.57021094,-11.019662446206896,-0.0749544603448271,['bandstructure'],True,[609200],True,2021-05-12 10:58:35.561000,NM,29,6,mp-1192984,,Al5Re24,"{'functional': 'PBE', 'labels': ['Al', 'Re_pv'], 'pot_type': 'paw'}","{'Al': 5.0, 'Re': 24.0}",GGA,mp-1192984,"['mp-1192984', 'mp-1239080', 'mp-1407321', 'mp-1757734', 'mp-1819147', 'mp-1625526']",0.0101838,"{'Al': 5.0, 'Re': 24.0}",446.1718803996183,[],NM,False,217,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.282483600463296e-05,0.0101838,0,0.0101838,MP,data/source/MP/cleaned/cifs/MP-mp-1192984.cif,False,,data/final/MP/graphs/Al5Re24-MP-mp-1192984.json,0,True,-43m,5,0,0,0,0,0,0,0,0,1,0,1.0,False
Ba0.25Cu1La1.75O4,3,0.0714285714285714,1.0,True,Ba0.25Cu1La1.75O4,Cu1La2O4,0.0,Cuprate,True,Ba3.571Cu14.286La25O57.142857142857146,Ba-Cu-La-O,4,Supercon,La1.75Ba0.25Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ba0.25Cu1La1.75O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ba0.25Cu1La1.75O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B6Pr1,1,0.0,1.0,True,B6Pr1,B6Pr1,0.0,Heavy_fermion,True,B85.714Pr14.286,B-Pr,2,Supercon,B6Pr1,MP-mp-12762,Pr1B6,B-Pr,B85.714Pr14.286,P m -3 m,cubic,4.145236,4.145236,4.145236,data/final/MP/cifs/B6Pr1-MP-mp-12762.cif,data/source/MP/raw/cifs/mp-12762.cif,mp-12762,0.0,,2011-05-27 19:27:42,4.797235899327342,10.17188/1189171,"@misc{osti_1189171,
    author = ""Persson, Kristin"",
    title = ""Materials Data on PrB6 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189171"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672212'}},0.0,6.69358828,520.0,-48.23991338,-6.891416197142857,"{'tags': ['Praseodymium octahedro-hexaboride', 'Praseodymium boride (1/6)']}",-48.23991338,-6.891416197142857,-0.4832376585714278,"['xas', 'elasticity', 'bandstructure']",True,"[615181, 150621, 615183, 602753, 615173, 615175, 615179]",True,2021-05-12 10:56:12.755000,NM,7,8,mp-12762,,PrB6,"{'functional': 'PBE', 'labels': ['Pr_3', 'B'], 'pot_type': 'paw'}","{'Pr': 1.0, 'B': 6.0}",GGA,mp-12762,"['mp-1000425', 'mp-1001344', 'mp-12762', 'mp-1439734', 'mp-1672212', 'mp-1801383', 'mp-1007709', 'mp-1589017']",0.0004887,"{'Pr': 1.0, 'B': 6.0}",71.2275134832929,[],NM,False,221,0,"[0, 0, 0, 0, 0, 0, 0]",6.861112737209748e-06,0.0004887,0,0.0004887,MP,data/source/MP/cleaned/cifs/MP-mp-12762.cif,False,,data/final/MP/graphs/B6Pr1-MP-mp-12762.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B2Ti1,1,0.0,1.0,True,B2Ti1,B2Ti1,0.0,Other,True,B66.667Ti33.333,B-Ti,2,Supercon,B2Ti1,MP-mp-1145,Ti1B2,B-Ti,B66.667Ti33.333,P 6/m m m,hexagonal,3.0351099985743115,3.03511055,3.223208,data/final/MP/cifs/B2Ti1-MP-mp-1145.cif,data/source/MP/raw/cifs/mp-1145.cif,mp-1145,0.0,,2011-05-12 17:44:08,4.48742516327231,10.17188/1187840,"@misc{osti_1187840,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TiB2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187840"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671679'}},0.0,8.4667423,520.0,-24.42127366,-8.140424553333334,{'tags': ['Titanium boride (1/2)']},-24.42127366,-8.140424553333334,-1.0556660338888892,"['xas', 'elasticity', 'bandstructure']",True,"[615594, 78847, 615591, 615599, 190893, 237013, 56723, 189387, 44596, 659126, 615595, 30330, 615593, 78848, 614878, 165124]",True,2021-05-12 10:56:10.715000,NM,3,25,mp-1145,,TiB2,"{'functional': 'PBE', 'labels': ['Ti_pv', 'B'], 'pot_type': 'paw'}","{'Ti': 1.0, 'B': 2.0}",GGA,mp-1145,"['mp-907183', 'mp-921690', 'mp-920679', 'mp-1145', 'mp-1061973', 'mp-1061997', 'mp-1062023', 'mp-1062089', 'mp-1062063', 'mp-1062111', 'mp-1062191', 'mp-1062207', 'mp-1062233', 'mp-1063278', 'mp-1063303', 'mp-1063334', 'mp-1440765', 'mp-1671679', 'mp-1791525', 'mp-1596508', 'mp-1596830', 'mp-1062014', 'mp-1062099', 'mp-1062218', 'mp-1063317']",0.000268,"{'Ti': 1.0, 'B': 2.0}",25.713899396780924,[],NM,False,191,0,"[0, 0, 0]",1.0422378802397836e-05,0.000268,0,0.000268,MP,data/source/MP/cleaned/cifs/MP-mp-1145.cif,False,,data/final/MP/graphs/B2Ti1-MP-mp-1145.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As1Ca1F1Fe0.85Rh0.15,3,0.075,2.0,False,As2Ca2F2Fe1.7Rh0.3,As2Ca2F2Fe2,18.4,Ferrite,True,As25Ca25F25Fe21.25Rh3.75,As-Ca-F-Fe-Rh,5,Supercon,Ca1Fe0.85Rh0.15As1F1,MP-mp-1079859,Ca2Fe2As2F2,As-Ca-F-Fe,As25Ca25F25Fe25,P m m n,orthorhombic,3.933336,3.981276,9.018918,data/final/MP/cifs/As1Ca1F1Fe0.85Rh0.15-MP-mp-1079859-synth_doped.cif,data/source/MP/raw/cifs/mp-1079859.cif,mp-1079859,0.0,,2018-04-16 14:43:21,4.464120586611354,,,{'GGA+U': {'task_id': 'mp-1695365'}},0.2859614887499973,4.27317878,520.0,-41.71531675,-5.21441459375,"{'tags': ['Calcium iron arsenide fluoride', 'High pressure experimental phase']}",-41.71531675,-5.21441459375,-1.632363168125,['bandstructure'],True,[186505],True,2021-05-12 10:58:16.596000,FM,8,6,mp-1079859,,CaFeAsF,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Fe_pv', 'As', 'F'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Fe': 1.0, 'As': 1.0, 'F': 1.0}",GGA+U,mp-1079859,"['mp-1079859', 'mp-1475687', 'mp-1695365', 'mp-1785040', 'mp-1938652', 'mp-1594699']",3.7150606,"{'Ca': 2.0, 'Fe': 2.0, 'As': 2.0, 'F': 2.0}",141.2335160836522,[],FM,True,59,1,"[0.0, 0.0, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0]",0.0526087674231601,3.7150606,2,7.4301212,MP,data/source/MP/cleaned/cifs/MP-mp-1079859.cif,True,,data/final/MP/graphs/As1Ca1F1Fe0.85Rh0.15-MP-mp-1079859-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ba0.45Bi1K0.55O3,3,0.0866666666666666,3.0,False,Ba1.35Bi3K1.65O9,Ba2Bi3K1O9,12.7,Oxide,True,Ba9Bi20K11O60,Ba-Bi-K-O,4,Supercon,Ba0.45K0.55Bi1O3,MP-mp-1223518,K1Ba2Bi3O9,Ba-Bi-K-O,Ba13.333Bi20K6.667O60,P -3 m 1,trigonal,6.18756400330999,6.187564340000001,7.581401,data/final/MP/cifs/Ba0.45Bi1K0.55O3-MP-mp-1223518-synth_doped.cif,data/source/MP/raw/cifs/mp-1223518.cif,mp-1223518,0.0,,2019-01-12 23:54:06.965000,7.16530091201999,,,{'GGA': {'task_id': 'mp-1729135'}},0.001551682833333,3.46143017,520.0,-85.22271396,-5.681514264,{'tags': []},-85.22271396,-5.681514264,-2.0170414252000004,[],False,[],True,2021-05-12 11:00:52.054000,NM,15,4,mp-1223518,oxide,KBa2(BiO3)3,"{'functional': 'PBE', 'labels': ['K_sv', 'Ba_sv', 'Bi', 'O'], 'pot_type': 'paw'}","{'K': 1.0, 'Ba': 2.0, 'Bi': 3.0, 'O': 9.0}",GGA,mp-1223518,"['mp-1223518', 'mp-1391182', 'mp-1729135', 'mp-1775199']",4.99e-05,"{'K': 1.0, 'Ba': 2.0, 'Bi': 3.0, 'O': 9.0}",251.37352739849624,[],NM,False,164,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.9850936777799505e-07,4.99e-05,0,4.99e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1223518.cif,True,,data/final/MP/graphs/Ba0.45Bi1K0.55O3-MP-mp-1223518-synth_doped.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Ir1Te2,1,0.0,8.0,False,Ir8Te16,Ir8Te16,0.0,Other,True,Ir33.333Te66.667,Ir-Te,2,Supercon,Ir1Te2,MP-mp-569388,Te16Ir8,Ir-Te,Ir33.333Te66.667,P n m a,orthorhombic,4.074827,6.468998,22.916824,data/final/MP/cifs/Ir1Te2-MP-mp-569388.cif,data/source/MP/raw/cifs/mp-569388.cif,mp-569388,0.0,,2014-02-23 18:00:38,9.83899963603163,10.17188/1275073,"@misc{osti_1275073,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Te2Ir (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1275073"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-927432'}},0.0,7.76059929,520.0,-128.1855654,-5.341065225,{'tags': ['Iridium telluride (1/2)']},-128.1855654,-5.341065225,-0.5807211316666674,"['xas', 'bandstructure']",True,[93896],True,2021-05-12 10:57:24.969000,NM,24,6,mp-569388,,Te2Ir,"{'functional': 'PBE', 'labels': ['Te', 'Ir'], 'pot_type': 'paw'}","{'Te': 2.0, 'Ir': 1.0}",GGA,mp-569388,"['mp-927432', 'mp-911482', 'mp-569388', 'mp-927959', 'mp-1330580', 'mp-1886812']",7.6625e-06,"{'Te': 16.0, 'Ir': 8.0}",604.0885740783526,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.014751853128895e-07,7.6625e-06,0,6.13e-05,MP,data/source/MP/cleaned/cifs/MP-mp-569388.cif,False,,data/final/MP/graphs/Ir1Te2-MP-mp-569388.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Bi2Ca1Cu2Sr2O8.256,2,0.0156615976227932,1.937996899224806,False,Bi3.876Ca1.938Cu3.876Sr3.876O16,Bi4Ca2Cu4Sr4O16,67.2,Cuprate,True,Bi13.11Ca6.555Cu13.11Sr13.11O54.116413214473,Bi-Ca-Cu-Sr-O,5,Supercon,Bi2Sr2Ca1Cu2O8.256,MP-mp-1218930,Sr4Ca2Cu4Bi4O16,Bi-Ca-Cu-Sr-O,Bi13.333Ca6.667Cu13.333Sr13.333O53.333333333333336,C c c 2,orthorhombic,5.417115,5.472898000129128,16.11398919,data/final/MP/cifs/Bi2Ca1Cu2Sr2O8.256-MP-mp-1218930-synth_doped.cif,data/source/MP/raw/cifs/mp-1218930.cif,mp-1218930,0.0,,2019-01-12 20:01:06.544000,6.266668983881059,,,,0.039252223722225,4.51768334,520.0,-173.15021002,-5.771673667333333,{'tags': []},-173.15021002,-5.771673667333333,-2.074956548222222,[],False,[],True,2021-05-12 11:00:42.526000,NM,30,3,mp-1218930,oxide,Sr2CaCu2(BiO4)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'O': 8.0}",GGA,mp-1218930,"['mp-1218930', 'mp-1359698', 'mp-1817714']",0.00011165,"{'Sr': 4.0, 'Ca': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'O': 16.0}",470.7976286073367,[],NM,False,37,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.743014544498498e-07,0.00011165,0,0.0002233,MP,data/source/MP/cleaned/cifs/MP-mp-1218930.cif,True,,data/final/MP/graphs/Bi2Ca1Cu2Sr2O8.256-MP-mp-1218930-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
B2Cu0.004Mg0.996,2,0.0026666666666666,1.0,True,B2Cu0.004Mg0.996,B2Mg1,38.11,Other,True,B66.667Cu0.133Mg33.2,B-Cu-Mg,3,Supercon,Mg0.996Cu0.004B2,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B2Cu0.004Mg0.996-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B2Cu0.004Mg0.996-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
B2C1La1Pt2,1,0.0,1.0,True,B2C1La1Pt2,B2C1La1Pt2,10.25,Other,True,B33.333C16.667La16.667Pt33.333,B-C-La-Pt,4,Supercon,La1Pt2B2C1,MP-mp-9219,La1B2Pt2C1,B-C-La-Pt,B33.333C16.667La16.667Pt33.333,I 4/m m m,tetragonal,3.898799997658802,3.898799997658802,6.057598490000001,data/final/MP/cifs/B2C1La1Pt2-MP-mp-9219.cif,data/source/MP/raw/cifs/mp-9219.cif,mp-9219,0.0,,2011-05-28 00:44:34,11.396350775673149,10.17188/1313055,"@misc{osti_1313055,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaB2Pt2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1313055"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698380'}},0.0242885071666689,8.67063932,520.0,-43.49455257,-7.249092095000001,{'tags': ['Lanthanum platinum boride carbide (1/2/2/1)']},-43.49455257,-7.249092095000001,-0.6385276338888891,"['xas', 'bandstructure']",True,[79565],True,2021-05-12 10:57:55.580000,NM,6,8,mp-9219,,LaB2Pt2C,"{'functional': 'PBE', 'labels': ['La', 'B', 'Pt', 'C'], 'pot_type': 'paw'}","{'La': 1.0, 'B': 2.0, 'Pt': 2.0, 'C': 1.0}",GGA,mp-9219,"['mp-1007143', 'mp-1000681', 'mp-9219', 'mp-1426940', 'mp-1698380', 'mp-1802262', 'mp-1011891', 'mp-1601957']",4.5e-06,"{'La': 1.0, 'B': 2.0, 'Pt': 2.0, 'C': 1.0}",81.99077026449889,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",5.488422642552549e-08,4.5e-06,0,4.5e-06,MP,data/source/MP/cleaned/cifs/MP-mp-9219.cif,False,,data/final/MP/graphs/B2C1La1Pt2-MP-mp-9219.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu1Sr2O3.02,2,0.0033222591362125,0.993292494481236,True,Cu0.993Sr1.987O3,Cu1Sr2O3,0.0,Cuprate,True,Cu16.611Sr33.223O50.16611295681063,Cu-Sr-O,3,Supercon,Sr2Cu1O3.02,MP-mp-5456,Sr2Cu1O3,Cu-Sr-O,Cu16.667Sr33.333O50,I m m m,orthorhombic,3.5486719996916936,3.973221999464672,6.882681430000001,data/final/MP/cifs/Cu1Sr2O3.02-MP-mp-5456-synth_doped.cif,data/source/MP/raw/cifs/mp-5456.cif,mp-5456,0.0,,2011-05-13 06:08:08,5.321943242365502,10.17188/1267081,"@misc{osti_1267081,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr2CuO3 (SG:71) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1267081"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668116'}},0.0,3.61711129,520.0,-34.88196178,-5.813660296666666,"{'tags': ['Distrontium cuprate', 'Distrontium copper oxide', 'Distrontium cuprate(II)', 'High pressure experimental phase']}",-34.88196178,-5.813660296666666,-2.4368141980555555,"['xas', 'elasticity', 'bandstructure']",True,"[151807, 151808, 151812, 151809, 151810, 202993, 246686, 15127, 151811]",True,2021-05-12 10:56:22.739000,NM,6,9,mp-5456,oxide,Sr2CuO3,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Cu': 1.0, 'O': 3.0}",GGA,mp-5456,"['mp-990251', 'mp-990223', 'mp-5456', 'mp-1142034', 'mp-1440170', 'mp-1668116', 'mp-1782763', 'mp-990260', 'mp-1588501']",0.0018128,"{'Sr': 2.0, 'Cu': 1.0, 'O': 3.0}",89.48166977668829,[],NM,False,71,0,"[0, 0, 0, 0, 0, 0]",2.0258897766705173e-05,0.0018128,0,0.0018128,MP,data/source/MP/cleaned/cifs/MP-mp-5456.cif,True,,data/final/MP/graphs/Cu1Sr2O3.02-MP-mp-5456-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,1.0,False
Pd0.52Sb0.48,2,0.04,4.0,False,Pd2.08Sb1.92,Pd2Sb2,1.65,Other,True,Pd52Sb48,Pd-Sb,2,Supercon,Pd0.52Sb0.48,MP-mp-1769,Sb2Pd2,Pd-Sb,Pd50Sb50,P 63/m m c,hexagonal,4.14379200150878,4.14379188,5.681682,data/final/MP/cifs/Pd0.52Sb0.48-MP-mp-1769-synth_doped.cif,data/source/MP/raw/cifs/mp-1769.cif,mp-1769,0.0,,2011-05-12 20:23:42,8.969190247481327,10.17188/1192632,"@misc{osti_1192632,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SbPd (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1192632"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672236'}},0.0,7.23050119,520.0,-20.38401466,-5.096003665,"{'tags': ['Palladium antimony (1/1)', 'Sudburyite', 'Palladium antimony', 'Palladium antimonide (1/1)']}",-20.38401466,-5.096003665,-0.5375621399999995,"['xas', 'elasticity', 'bandstructure']",True,"[648770, 42598, 648779, 42597]",True,2021-05-12 10:56:14.760000,NM,4,8,mp-1769,,SbPd,"{'functional': 'PBE', 'labels': ['Sb', 'Pd'], 'pot_type': 'paw'}","{'Sb': 1.0, 'Pd': 1.0}",GGA,mp-1769,"['mp-924880', 'mp-925511', 'mp-909858', 'mp-1769', 'mp-1439686', 'mp-1672236', 'mp-1802229', 'mp-1586197']",0.0044707,"{'Sb': 2.0, 'Pd': 2.0}",84.4896347968957,[],NM,False,194,0,"[0, 0, 0, 0]",0.0001058283660651,0.0044707,0,0.0089414,MP,data/source/MP/cleaned/cifs/MP-mp-1769.cif,True,,data/final/MP/graphs/Pd0.52Sb0.48-MP-mp-1769-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As2Eu1Fe1.72Ir0.28,3,0.112,1.0,True,As2Eu1Fe1.72Ir0.28,As2Eu1Fe2,21.66666667,Ferrite,True,As40Eu20Fe34.4Ir5.6,As-Eu-Fe-Ir,4,Supercon,Eu1Fe1.72Ir0.28As2,MP-mp-20890,Eu1Fe2As2,As-Eu-Fe,As40Eu20Fe40,I 4/m m m,tetragonal,3.9736679999368567,3.9736679999368567,6.07120609,data/final/MP/cifs/As2Eu1Fe1.72Ir0.28-MP-mp-20890-synth_doped.cif,data/source/MP/raw/cifs/mp-20890.cif,mp-20890,0.0,,2014-02-21 09:03:25,8.079887417044961,10.17188/1196086,"@misc{osti_1196086,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Eu(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196086"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687595'}},0.0,5.69045342,520.0,-39.43180547,-7.886361094,"{'tags': ['High pressure experimental phase', 'Europium diiron diarsenide - HP', 'Europium diiron diarsenide', 'Europium iron arsenide (1/2/2)']}",-39.43180547,-7.886361094,-0.5763016570000005,"['xas', 'bandstructure']",True,"[169689, 169687, 185355, 169691, 163211, 185356, 610431, 169690, 169688, 163210]",True,2021-05-12 10:56:57.051000,FM,5,16,mp-20890,,Eu(FeAs)2,"{'functional': 'PBE', 'labels': ['Eu', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Eu': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-20890,"['mp-991161', 'mp-993140', 'mp-20890', 'mp-1069324', 'mp-1069480', 'mp-1069596', 'mp-1069907', 'mp-1070115', 'mp-1069978', 'mp-1442076', 'mp-1687595', 'mp-1782260', 'mp-994461', 'mp-1594012', 'mp-1069557', 'mp-1070074']",6.9579645,"{'Eu': 1.0, 'Fe': 2.0, 'As': 2.0}",84.97992844321493,[],FM,True,139,1,"[6.7, -0.0, -0.0, 0.0, 0.0]",0.0818777401613068,6.9579645,1,6.9579645,MP,data/source/MP/cleaned/cifs/MP-mp-20890.cif,True,,data/final/MP/graphs/As2Eu1Fe1.72Ir0.28-MP-mp-20890-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu2Yb2O5,1,0.0,4.0,False,Cu8Yb8O20,Cu8Yb8O20,0.0,Cuprate,True,Cu22.222Yb22.222O55.55555555555556,Cu-Yb-O,3,Supercon,Yb2Cu2O5,MP-mp-20205,Yb8Cu8O20,Cu-Yb-O,Cu22.222Yb22.222O55.55555555555556,P n a 21,orthorhombic,3.493348,10.482153,12.570776,data/final/MP/cifs/Cu2Yb2O5-MP-mp-20205.cif,data/source/MP/raw/cifs/mp-20205.cif,mp-20205,0.9982000000000002,,2013-10-01 18:14:42,7.982014074543605,10.17188/1195344,"@misc{osti_1195344,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Yb2Cu2O5 (SG:33) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195344"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1734415'}},0.0,1.57781282,520.0,-210.81624063,-5.856006684166667,{'tags': ['Diytterbium dicopper oxide']},-210.81624063,-5.856006684166667,-2.2357361369444444,"['xas', 'bandstructure']",True,"[69328, 79432, 72555]",True,2021-05-12 10:56:57.051000,NM,36,9,mp-20205,oxide,Yb2Cu2O5,"{'functional': 'PBE', 'labels': ['Yb_2', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Yb': 2.0, 'Cu': 2.0, 'O': 5.0}",GGA,mp-20205,"['mp-660416', 'mp-670156', 'mp-557140', 'mp-20205', 'mp-1394991', 'mp-1734415', 'mp-1821415', 'mp-1622707', 'mp-688352']",0.0003456,"{'Yb': 8.0, 'Cu': 8.0, 'O': 20.0}",460.3142647225045,[],NM,False,33,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.003165676026497e-06,0.0003456,0,0.0013824,MP,data/source/MP/cleaned/cifs/MP-mp-20205.cif,False,,data/final/MP/graphs/Cu2Yb2O5-MP-mp-20205.json,0,True,mm2,0,0,0,6,0,0,0,1,0,0,0,1.0,False
Ge1Y1,1,0.0,2.0,False,Ge2Y2,Ge2Y2,0.0,Other,True,Ge50Y50,Ge-Y,2,Supercon,Ge1Y1,MP-mp-9971,Y2Ge2,Ge-Y,Ge50Y50,C m c m,orthorhombic,3.96893,4.306622003353431,5.79784986,data/final/MP/cifs/Ge1Y1-MP-mp-9971.cif,data/source/MP/raw/cifs/mp-9971.cif,mp-9971,0.0,,2011-05-28 04:51:33,5.830799968949737,10.17188/1317182,"@misc{osti_1317182,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YGe (SG:63) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1317182"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1674287'}},0.0,5.07576049,520.0,-25.75709392,-6.43927348,{'tags': ['Yttrium germanide (1/1)']},-25.75709392,-6.43927348,-0.8945239958333326,"['xas', 'elasticity', 'bandstructure']",True,"[42948, 638143, 638131]",True,2021-05-12 10:56:37.246000,NM,4,8,mp-9971,,YGe,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ge_d'], 'pot_type': 'paw'}","{'Y': 1.0, 'Ge': 1.0}",GGA,mp-9971,"['mp-909896', 'mp-925858', 'mp-924910', 'mp-9971', 'mp-1437822', 'mp-1674287', 'mp-1798144', 'mp-1589600']",9.015e-05,"{'Y': 2.0, 'Ge': 2.0}",92.0124841876276,[],NM,False,63,0,"[0, 0, 0, 0]",1.959516706801879e-06,9.015e-05,0,0.0001803,MP,data/source/MP/cleaned/cifs/MP-mp-9971.cif,False,,data/final/MP/graphs/Ge1Y1-MP-mp-9971.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Al0.28Mg0.18,2,0.0173913043478261,42.85634920634921,False,Al12Mg7.714,Al12Mg8,1.63,Other,True,Al60.87Mg39.13,Al-Mg,2,Supercon,Al0.28Mg0.18,MP-mp-1210739,Mg8Al12,Al-Mg,Al60Mg40,I 41/a m d,tetragonal,6.444700999999999,6.444700999999999,10.633734553636131,data/final/MP/cifs/Al0.28Mg0.18-MP-mp-1210739-synth_doped.cif,data/source/MP/raw/cifs/mp-1210739.cif,mp-1210739,0.0,,2019-01-12 13:13:50.058000,2.156422628093317,,,,0.1172315020000001,5.34734111,520.0,-55.87038485,-2.7935192425,"{'tags': ['MgAl2 m', 'close-packed structure', 'HfGa2']}",-55.87038485,-2.7935192425,0.0939382755,[],False,[],True,2021-05-12 11:00:26.500000,NM,20,2,mp-1210739,,Mg2Al3,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Al'], 'pot_type': 'paw'}","{'Mg': 2.0, 'Al': 3.0}",GGA,mp-1210739,"['mp-1210739', 'mp-1840433']",0.00133755,"{'Mg': 8.0, 'Al': 12.0}",399.0507203765886,[],NM,False,141,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.3407318235012726e-05,0.00133755,0,0.0053502,MP,data/source/MP/cleaned/cifs/MP-mp-1210739.cif,True,,data/final/MP/graphs/Al0.28Mg0.18-MP-mp-1210739-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
As2Ba0.6Fe2K0.4,3,0.1066666666666666,3.0,False,As6Ba1.8Fe6K1.2,As6Ba1Fe6K2,35.66,Ferrite,True,As40Ba12Fe40K8,As-Ba-Fe-K,4,Supercon,Ba0.6K0.4Fe2As2,MP-mp-1223766,K2Ba1Fe6As6,As-Ba-Fe-K,As40Ba6.667Fe40K13.333,C 1 2/m 1,monoclinic,5.437740001361472,7.18634711,8.612102760000003,data/final/MP/cifs/As2Ba0.6Fe2K0.4-MP-mp-1223766-synth_doped.cif,data/source/MP/raw/cifs/mp-1223766.cif,mp-1223766,0.0,,2019-01-13 00:06:57.709000,5.619425416151954,,,,0.0077898596666665,3.9822019,520.0,-88.48429402,-5.898952934666666,{'tags': []},-88.48429402,-5.898952934666666,-0.3713176110666666,[],False,[],True,2021-05-12 11:00:52.054000,FM,15,3,mp-1223766,,K2Ba(FeAs)6,"{'functional': 'PBE', 'labels': ['K_sv', 'Ba_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'K': 2.0, 'Ba': 1.0, 'Fe': 6.0, 'As': 6.0}",GGA,mp-1223766,"['mp-1223766', 'mp-1375545', 'mp-1808794']",0.1908756,"{'K': 2.0, 'Ba': 1.0, 'Fe': 6.0, 'As': 6.0}",295.5362020180066,[],FM,True,12,2,"[-0.0, -0.0, -0.0, -0.0, 0.1, 0.1, 0.1, 0.1, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0006458619915145,0.1908756,4,0.1908756,MP,data/source/MP/cleaned/cifs/MP-mp-1223766.cif,True,,data/final/MP/graphs/As2Ba0.6Fe2K0.4-MP-mp-1223766-synth_doped.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
B2Ru3Y1,1,0.0,1.0,True,B2Ru3Y1,B2Ru3Y1,0.0,Other,True,B33.333Ru50Y16.667,B-Ru-Y,3,Supercon,Y1Ru3B2,MP-mp-4382,Y1B2Ru3,B-Ru-Y,B33.333Ru50Y16.667,P 6/m m m,hexagonal,3.037411,5.515968003087077,5.51596851,data/final/MP/cifs/B2Ru3Y1-MP-mp-4382.cif,data/source/MP/raw/cifs/mp-4382.cif,mp-4382,0.0,,2011-05-13 07:55:51,8.584136766077785,10.17188/1208114,"@misc{osti_1208114,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YB2Ru3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208114"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1699016'}},0.0,6.53647087,520.0,-50.45511914,-8.409186523333334,{'tags': ['Ruthenium yttrium boride (3/1/2)']},-50.45511914,-8.409186523333334,-0.4677825866666663,"['xas', 'elasticity', 'bandstructure']",True,"[44581, 659500]",True,2021-05-12 10:56:20.740000,NM,6,8,mp-4382,,YB2Ru3,"{'functional': 'PBE', 'labels': ['Y_sv', 'B', 'Ru_pv'], 'pot_type': 'paw'}","{'Y': 1.0, 'B': 2.0, 'Ru': 3.0}",GGA,mp-4382,"['mp-1000817', 'mp-1007268', 'mp-4382', 'mp-1413410', 'mp-1699016', 'mp-1799021', 'mp-1012009', 'mp-1597156']",0.0132777,"{'Y': 1.0, 'B': 2.0, 'Ru': 3.0}",80.03458961313865,[],NM,False,191,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001658995199972,0.0132777,0,0.0132777,MP,data/source/MP/cleaned/cifs/MP-mp-4382.cif,False,,data/final/MP/graphs/B2Ru3Y1-MP-mp-4382.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
In3U1,1,0.0,1.0,True,In3U1,In3U1,0.0,Heavy_fermion,True,In75U25,In-U,2,Supercon,In3U1,MP-mp-20941,U1In3,In-U,In75U25,P m -3 m,cubic,4.654533,4.654533,4.654533,data/final/MP/cifs/In3U1-MP-mp-20941.cif,data/source/MP/raw/cifs/mp-20941.cif,mp-20941,0.0,,2014-02-21 11:01:24,9.591884574494513,10.17188/1196134,"@misc{osti_1196134,
    author = ""Persson, Kristin"",
    title = ""Materials Data on UIn3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196134"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672627'}},0.0,8.87319481,520.0,-19.57110284,-4.89277571,{'tags': ['Indium uranium (3/1)']},-19.57110284,-4.89277571,-0.0061604099999996,"['xas', 'elasticity', 'bandstructure']",True,"[640682, 652816, 603099, 59566, 640683, 59565]",True,2021-05-12 10:56:14.760000,FM,4,8,mp-20941,,UIn3,"{'functional': 'PBE', 'labels': ['U', 'In_d'], 'pot_type': 'paw'}","{'U': 1.0, 'In': 3.0}",GGA,mp-20941,"['mp-991708', 'mp-993617', 'mp-20941', 'mp-1476025', 'mp-1672627', 'mp-1935641', 'mp-994946', 'mp-1594183']",2.6346137,"{'U': 1.0, 'In': 3.0}",100.83895611648605,[],FM,True,221,1,"[2.4, 0.0, 0.0, 0.0]",0.0261269434102092,2.6346137,1,2.6346137,MP,data/source/MP/cleaned/cifs/MP-mp-20941.cif,False,,data/final/MP/graphs/In3U1-MP-mp-20941.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cd1Sn1,1,0.0,1.0,True,Cd1Sn1,Cd1Sn1,3.65,Other,True,Cd50Sn50,Cd-Sn,2,Supercon,Cd1Sn1,MP-mp-1183726,Cd1Sn1,Cd-Sn,Cd50Sn50,P -6 m 2,hexagonal,3.339958001944872,3.33995759,5.413771,data/final/MP/cifs/Cd1Sn1-MP-mp-1183726.cif,data/source/MP/raw/cifs/mp-1183726.cif,mp-1183726,0.0,,2019-01-11 12:14:30.112000,7.3379720387002525,,,{'GGA': {'task_id': 'mp-1763684'}},0.0864279525000002,5.23677696,520.0,-4.75960571,-2.379802855,{'tags': []},-4.75960571,-2.379802855,0.0864279525000002,['bandstructure'],True,[],True,2021-05-12 10:58:25.879000,NM,2,5,mp-1183726,,CdSn,"{'functional': 'PBE', 'labels': ['Cd', 'Sn_d'], 'pot_type': 'paw'}","{'Cd': 1.0, 'Sn': 1.0}",GGA,mp-1183726,"['mp-1183726', 'mp-1430964', 'mp-1763684', 'mp-1791608', 'mp-1609544']",0.0001293,"{'Cd': 1.0, 'Sn': 1.0}",52.30129626926693,[],NM,False,187,0,"[0, 0]",2.472214060131789e-06,0.0001293,0,0.0001293,MP,data/source/MP/cleaned/cifs/MP-mp-1183726.cif,False,,data/final/MP/graphs/Cd1Sn1-MP-mp-1183726.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Bi2Cu1Sr2O6.09,2,0.0073776539060578,1.970360837438424,False,Bi3.941Cu1.97Sr3.941O12,Bi4Cu2Sr4O12,10.0,Cuprate,True,Bi18.034Cu9.017Sr18.034O54.91433724075743,Bi-Cu-Sr-O,4,Supercon,Bi2Sr2Cu1O6.09,MP-mp-555827,Sr4Cu2Bi4O12,Bi-Cu-Sr-O,Bi18.182Cu9.091Sr18.182O54.54545454545455,C c c m,orthorhombic,5.133052,5.52519599964684,13.01880065,data/final/MP/cifs/Bi2Cu1Sr2O6.09-MP-mp-555827-synth_doped.cif,data/source/MP/raw/cifs/mp-555827.cif,mp-555827,0.0,,2014-02-22 10:13:35,6.928457216674172,10.17188/1269010,"@misc{osti_1269010,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr2Cu(BiO3)2 (SG:66) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1269010"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1707731'}},0.0585641377272736,4.75363105,520.0,-126.5422218,-5.7519191727272725,{'tags': ['Dibismuth distrontium copper hexaoxide']},-126.5422218,-5.7519191727272725,-2.0406438793939388,"['xas', 'bandstructure']",True,[67426],True,2021-05-12 10:57:17.297000,NM,22,8,mp-555827,oxide,Sr2Cu(BiO3)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Cu': 1.0, 'Bi': 2.0, 'O': 6.0}",GGA,mp-555827,"['mp-932594', 'mp-931549', 'mp-918058', 'mp-555827', 'mp-1418436', 'mp-1707731', 'mp-1837530', 'mp-1605675']",0.00627605,"{'Sr': 4.0, 'Cu': 2.0, 'Bi': 4.0, 'O': 12.0}",360.8189966762927,[],NM,False,66,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",3.478780251490214e-05,0.00627605,0,0.0125521,MP,data/source/MP/cleaned/cifs/MP-mp-555827.cif,True,,data/final/MP/graphs/Bi2Cu1Sr2O6.09-MP-mp-555827-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Ag2F1,1,0.0,1.0,True,Ag2F1,Ag2F1,0.066,Other,True,Ag66.667F33.333,Ag-F,2,Supercon,Ag2F1,MP-mp-1391,Ag2F1,Ag-F,Ag66.667F33.333,P -3 m 1,trigonal,3.057264001385255,3.05726375,5.794899,data/final/MP/cifs/Ag2F1-MP-mp-1391.cif,data/source/MP/raw/cifs/mp-1391.cif,mp-1391,0.0,,2011-05-12 20:15:04,8.30967891480713,10.17188/1189804,"@misc{osti_1189804,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ag2F (SG:164) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189804"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668830'}},0.0,1.9729303,520.0,-9.68414214,-3.22804738,{'tags': ['Silver fluoride (2/1)']},-9.68414214,-3.22804738,-0.8565170552777778,"['xas', 'elasticity', 'bandstructure']",True,"[68443, 68437, 68439, 56165, 68441, 68440, 28280, 68442, 68436, 68444, 68438]",True,2021-05-12 10:56:12.755000,NM,3,9,mp-1391,,Ag2F,"{'functional': 'PBE', 'labels': ['Ag', 'F'], 'pot_type': 'paw'}","{'Ag': 2.0, 'F': 1.0}",GGA,mp-1391,"['mp-1006925', 'mp-1000455', 'mp-1391', 'mp-1440778', 'mp-1668830', 'mp-1792810', 'mp-1011640', 'mp-1594179', 'mp-1594599']",0.0013495,"{'Ag': 2.0, 'F': 1.0}",46.90750569311374,[],NM,False,164,0,"[0, 0, 0]",2.8769383066943023e-05,0.0013495,0,0.0013495,MP,data/source/MP/cleaned/cifs/MP-mp-1391.cif,False,,data/final/MP/graphs/Ag2F1-MP-mp-1391.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
As2Co0.25Fe1.75Sr1,3,0.1,1.0,True,As2Co0.25Fe1.75Sr1,As2Fe2Sr1,15.7,Ferrite,True,As40Co5Fe35Sr20,As-Co-Fe-Sr,4,Supercon,Sr1Fe1.75Co0.25As2,MP-mp-4488,Sr1Fe2As2,As-Fe-Sr,As40Fe40Sr20,I 4/m m m,tetragonal,3.9729799997357778,3.9729799997357778,6.45523327,data/final/MP/cifs/As2Co0.25Fe1.75Sr1-MP-mp-4488-synth_doped.cif,data/source/MP/raw/cifs/mp-4488.cif,mp-4488,0.0,,2011-05-13 03:37:13,6.319998834487784,10.17188/1208187,"@misc{osti_1208187,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208187"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672865'}},0.0,5.13397273,520.0,-30.61898897,-6.123797794,"{'tags': ['Strontium diiron arsenide - HT', 'Strontium diiron arsenide', 'Strontium diiron diarsenide', 'Iron strontium arsenide (2/1/2)', 'Strontium diiron arsenide - LT']}",-30.61898897,-6.123797794,-0.5342483613333335,"['xas', 'elasticity', 'bandstructure']",True,"[182330, 181993, 610527, 163209, 163208, 163869]",True,2021-05-12 10:56:20.740000,NM,5,8,mp-4488,,Sr(FeAs)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-4488,"['mp-906356', 'mp-920135', 'mp-919110', 'mp-4488', 'mp-1439153', 'mp-1672865', 'mp-1873948', 'mp-1592272']",0.0029206,"{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",91.7377588211838,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",3.183640016422098e-05,0.0029206,0,0.0029206,MP,data/source/MP/cleaned/cifs/MP-mp-4488.cif,True,,data/final/MP/graphs/As2Co0.25Fe1.75Sr1-MP-mp-4488-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Pd0.18Ti0.82,3,0.1399999999999999,8.0,False,Pd1.44Ti6.56,Pd2Ti6,4.73,Other,True,Pd18Ti82,Pd-Ti,2,Supercon,Pd0.18Ti0.82,MP-mp-1079796,Ti6Pd2,Pd-Ti,Pd25Ti75,P m -3 n,cubic,5.062402,5.062402,5.062402,data/final/MP/cifs/Pd0.18Ti0.82-MP-mp-1079796-synth_doped.cif,data/source/MP/raw/cifs/mp-1079796.cif,mp-1079796,0.0,,2018-04-16 08:50:50,6.400084291337905,,,{'GGA': {'task_id': 'mp-1753631'}},0.0,5.87293662,520.0,-60.50496802,-7.5631210025,{'tags': ['Titanium palladium (3/1)']},-60.50496802,-7.5631210025,-0.3465315374999997,['bandstructure'],True,[167644],True,2021-05-12 10:58:16.596000,NM,8,5,mp-1079796,,Ti3Pd,"{'functional': 'PBE', 'labels': ['Ti_pv', 'Pd'], 'pot_type': 'paw'}","{'Ti': 3.0, 'Pd': 1.0}",GGA,mp-1079796,"['mp-1079796', 'mp-1389837', 'mp-1753631', 'mp-1788391', 'mp-1624029']",0.06889515,"{'Ti': 6.0, 'Pd': 2.0}",129.73880313804727,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0010620592811649,0.06889515,0,0.1377903,MP,data/source/MP/cleaned/cifs/MP-mp-1079796.cif,True,,data/final/MP/graphs/Pd0.18Ti0.82-MP-mp-1079796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
C1Mo0.95V0.05,2,0.05,1.0,True,C1Mo0.95V0.05,C1Mo1,13.9,Other,True,C50Mo47.5V2.5,C-Mo-V,3,Supercon,Mo0.95V0.05C1,MP-mp-2305,Mo1C1,C-Mo,C50Mo50,P -6 m 2,hexagonal,2.835086,2.92410600478411,2.92410507,data/final/MP/cifs/C1Mo0.95V0.05-MP-mp-2305-synth_doped.cif,data/source/MP/raw/cifs/mp-2305.cif,mp-2305,0.0,,2011-05-12 17:49:42,8.538697979393088,10.17188/1199194,"@misc{osti_1199194,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MoC (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199194"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668222'}},0.0010243049999996,8.62658168,520.0,-20.24014809,-10.120074045,{'tags': ['Molybdenum carbide (1/1)']},-20.24014809,-10.120074045,-0.0838621800000005,"['xas', 'elasticity', 'bandstructure']",True,"[77156, 618300]",True,2021-05-12 10:56:16.728000,NM,2,9,mp-2305,,MoC,"{'functional': 'PBE', 'labels': ['Mo_pv', 'C'], 'pot_type': 'paw'}","{'Mo': 1.0, 'C': 1.0}",GGA,mp-2305,"['mp-927633', 'mp-927239', 'mp-911174', 'mp-2305', 'mp-1116092', 'mp-1440368', 'mp-1668222', 'mp-1791400', 'mp-1638434']",0.0001977,"{'Mo': 1.0, 'C': 1.0}",20.99340614335182,[],NM,False,187,0,"[0, 0]",9.417242664197564e-06,0.0001977,0,0.0001977,MP,data/source/MP/cleaned/cifs/MP-mp-2305.cif,True,,data/final/MP/graphs/C1Mo0.95V0.05-MP-mp-2305-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Bi1Pt1Y1,1,0.0,1.0,True,Bi1Pt1Y1,Bi1Pt1Y1,0.906666667,Other,True,Bi33.333Pt33.333Y33.333,Bi-Pt-Y,3,Supercon,Y1Pt1Bi1,MP-mp-1206679,Y1Bi1Pt1,Bi-Pt-Y,Bi33.333Pt33.333Y33.333,F -4 3 m,cubic,4.77597315,4.77597315,4.77597315,data/final/MP/cifs/Bi1Pt1Y1-MP-mp-1206679.cif,data/source/MP/raw/cifs/mp-1206679.cif,mp-1206679,0.0,,2019-01-12 09:56:28.584000,10.626718517979766,,,{'GGA': {'task_id': 'mp-1763841'}},0.0,5.74561948,520.0,-19.52653739,-6.508845796666667,"{'tags': ['MgAgAs', 'YPtBi']}",-19.52653739,-6.508845796666667,-1.03304141888889,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,NM,3,5,mp-1206679,,YBiPt,"{'functional': 'PBE', 'labels': ['Y_sv', 'Bi', 'Pt'], 'pot_type': 'paw'}","{'Y': 1.0, 'Bi': 1.0, 'Pt': 1.0}",GGA,mp-1206679,"['mp-1206679', 'mp-1417467', 'mp-1763841', 'mp-1801981', 'mp-1612544']",0.0008028,"{'Y': 1.0, 'Bi': 1.0, 'Pt': 1.0}",77.03190381974953,[],NM,False,216,0,"[0, 0, 0]",1.042165596579968e-05,0.0008028,0,0.0008028,MP,data/source/MP/cleaned/cifs/MP-mp-1206679.cif,False,,data/final/MP/graphs/Bi1Pt1Y1-MP-mp-1206679.json,0,True,-43m,5,0,0,0,0,0,0,0,0,0,1,1.0,False
Al1Os1,1,0.0,1.0,True,Al1Os1,Al1Os1,0.39,Other,True,Al50Os50,Al-Os,2,Supercon,Al1Os1,MP-mp-875,Al1Os1,Al-Os,Al50Os50,P m -3 m,cubic,3.017968,3.017968,3.017968,data/final/MP/cifs/Al1Os1-MP-mp-875.cif,data/source/MP/raw/cifs/mp-875.cif,mp-875,0.0,,2011-05-12 17:56:20,13.121639371456048,10.17188/1312685,"@misc{osti_1312685,
    author = ""Persson, Kristin"",
    title = ""Materials Data on AlOs (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1312685"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686432'}},0.0207313987500006,8.56514745,520.0,-15.77462007,-7.887310035,{'tags': ['Aluminium osmium (1/1)']},-15.77462007,-7.887310035,-0.4008389924999997,"['xas', 'elasticity', 'bandstructure']",True,"[609006, 58107, 609010]",True,2021-05-12 10:56:33.121000,NM,2,9,mp-875,,AlOs,"{'functional': 'PBE', 'labels': ['Al', 'Os_pv'], 'pot_type': 'paw'}","{'Al': 1.0, 'Os': 1.0}",GGA,mp-875,"['mp-993273', 'mp-991322', 'mp-875', 'mp-1254489', 'mp-1439925', 'mp-1686432', 'mp-1794202', 'mp-994586', 'mp-1591703']",0.0020531,"{'Al': 1.0, 'Os': 1.0}",27.488047442167268,[],NM,False,221,0,"[0.0, -0.0]",7.469064524570412e-05,0.0020531,0,0.0020531,MP,data/source/MP/cleaned/cifs/MP-mp-875.cif,False,,data/final/MP/graphs/Al1Os1-MP-mp-875.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Al0.6B2Mg0.4,3,0.0666666666666666,2.0,False,Al1.2B4Mg0.8,Al1B4Mg1,8.925,Other,True,Al20B66.667Mg13.333,Al-B-Mg,3,Supercon,Mg0.4Al0.6B2,MP-mp-1207086,Mg1Al1B4,Al-B-Mg,Al16.667B66.667Mg16.667,P 6/m m m,hexagonal,3.0390800030457754,3.03908045,6.743851,data/final/MP/cifs/Al0.6B2Mg0.4-MP-mp-1207086-synth_doped.cif,data/source/MP/raw/cifs/mp-1207086.cif,mp-1207086,0.0,,2019-01-12 10:15:58.939000,2.9100354640166017,,,,0.0,7.97438235,520.0,-32.93890018,-5.489816696666666,"{'tags': ['MgAlB4', 'MgAlB4 rt', 'AlB2 family']}",-32.93890018,-5.489816696666666,-0.1459128694444433,[],False,[],True,2021-05-12 11:00:19.396000,NM,6,3,mp-1207086,,MgAlB4,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Al', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'Al': 1.0, 'B': 4.0}",GGA,mp-1207086,"['mp-1207086', 'mp-1420258', 'mp-1781830']",0.0064715,"{'Mg': 1.0, 'Al': 1.0, 'B': 4.0}",53.94149118560149,[],NM,False,191,0,"[0, 0, 0, 0, 0, 0]",0.0001199725824733,0.0064715,0,0.0064715,MP,data/source/MP/cleaned/cifs/MP-mp-1207086.cif,True,,data/final/MP/graphs/Al0.6B2Mg0.4-MP-mp-1207086-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Pb3Yb1,1,0.0,1.0,True,Pb3Yb1,Pb3Yb1,0.23,Heavy_fermion,True,Pb75Yb25,Pb-Yb,2,Supercon,Pb3Yb1,MP-mp-21430,Yb1Pb3,Pb-Yb,Pb75Yb25,P m -3 m,cubic,4.916959,4.916959,4.916959,data/final/MP/cifs/Pb3Yb1-MP-mp-21430.cif,data/source/MP/raw/cifs/mp-21430.cif,mp-21430,0.0,,2014-02-21 10:47:30,11.10017329704747,10.17188/1196888,"@misc{osti_1196888,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YbPb3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196888"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687724'}},0.0,6.37021718,520.0,-13.93716346,-3.484290865,{'tags': ['Lead ytterbium (3/1)']},-13.93716346,-3.484290865,-0.3149034925,"['xas', 'bandstructure']",True,"[648661, 648666, 105647, 105646, 648663, 602887]",True,2021-05-12 10:56:59.077000,NM,4,8,mp-21430,,YbPb3,"{'functional': 'PBE', 'labels': ['Yb_2', 'Pb_d'], 'pot_type': 'paw'}","{'Yb': 1.0, 'Pb': 3.0}",GGA,mp-21430,"['mp-935239', 'mp-942038', 'mp-943041', 'mp-21430', 'mp-1439157', 'mp-1687724', 'mp-1802456', 'mp-1590188']",0.0040393,"{'Yb': 1.0, 'Pb': 3.0}",118.8747894804494,[],NM,False,221,0,"[0, 0, 0, 0]",3.3979450290966184e-05,0.0040393,0,0.0040393,MP,data/source/MP/cleaned/cifs/MP-mp-21430.cif,False,,data/final/MP/graphs/Pb3Yb1-MP-mp-21430.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Dy0.3Pd2Sn1Y0.7,3,0.15,1.0,True,Dy0.3Pd2Sn1Y0.7,Pd2Sn1Y1,0.0,Other,True,Dy7.5Pd50Sn25Y17.5,Dy-Pd-Sn-Y,4,Supercon,Pd2Y0.7Dy0.3Sn1,MP-mp-5538,Y1Sn1Pd2,Pd-Sn-Y,Pd50Sn25Y25,F m -3 m,cubic,4.81595014,4.81595014,4.81595014,data/final/MP/cifs/Dy0.3Pd2Sn1Y0.7-MP-mp-5538-synth_doped.cif,data/source/MP/raw/cifs/mp-5538.cif,mp-5538,0.0,,2011-05-13 01:04:13,8.839720826473608,10.17188/1267618,"@misc{osti_1267618,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YSnPd2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1267618"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687523'}},0.0,6.33853657,520.0,-24.32859047,-6.0821476175,"{'tags': ['Palladium yttrium stannide (2/1/1)', 'Palladium tin yttrium (2/1/1)']}",-24.32859047,-6.0821476175,-0.873195970416667,"['xas', 'elasticity', 'bandstructure']",True,"[105699, 648949, 105700, 424011, 648950]",True,2021-05-12 10:56:22.739000,NM,4,12,mp-5538,,YSnPd2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Sn_d', 'Pd'], 'pot_type': 'paw'}","{'Y': 1.0, 'Sn': 1.0, 'Pd': 2.0}",GGA,mp-5538,"['mp-1008093', 'mp-1001657', 'mp-5538', 'mp-1065654', 'mp-1065644', 'mp-1065683', 'mp-1439031', 'mp-1687523', 'mp-1801498', 'mp-1012418', 'mp-1593849', 'mp-1065696']",0.0001592,"{'Y': 1.0, 'Sn': 1.0, 'Pd': 2.0}",78.98251295612837,[],NM,False,225,0,"[0, 0, 0, 0]",2.015636044505563e-06,0.0001592,0,0.0001592,MP,data/source/MP/cleaned/cifs/MP-mp-5538.cif,True,,data/final/MP/graphs/Dy0.3Pd2Sn1Y0.7-MP-mp-5538-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Mo0.23Re0.77,2,0.04,8.0,False,Mo1.84Re6.16,Mo2Re6,9.25,Other,True,Mo23Re77,Mo-Re,2,Supercon,Mo0.23Re0.77,MP-mp-974589,Re6Mo2,Mo-Re,Mo25Re75,P 63/m m c,hexagonal,4.549566,5.589982002473007,5.589981640000001,data/final/MP/cifs/Mo0.23Re0.77-MP-mp-974589-synth_doped.cif,data/source/MP/raw/cifs/mp-974589.cif,mp-974589,0.0,,2015-09-17 00:40:39,17.65663080297061,10.17188/1314573,"@misc{osti_1314573,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Re3Mo (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1314573"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1752979'}},0.1333847256249978,7.30876759,520.0,-95.39162484,-11.923953105,{'tags': []},-95.39162484,-11.923953105,0.1208530412499993,"['xas', 'bandstructure']",True,[],True,2021-05-12 10:57:55.580000,NM,8,8,mp-974589,,Re3Mo,"{'functional': 'PBE', 'labels': ['Re_pv', 'Mo_pv'], 'pot_type': 'paw'}","{'Re': 3.0, 'Mo': 1.0}",GGA,mp-974589,"['mp-974701', 'mp-974589', 'mp-974659', 'mp-1411460', 'mp-1752979', 'mp-1805092', 'mp-974741', 'mp-1618655']",0.00043195,"{'Re': 6.0, 'Mo': 2.0}",123.11795201493304,[],NM,False,187,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, 0.0]",7.016848362578489e-06,0.00043195,0,0.0008639,MP,data/source/MP/cleaned/cifs/MP-mp-974589.cif,True,,data/final/MP/graphs/Mo0.23Re0.77-MP-mp-974589-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Cd0.2Cu3Y0.8O7,3,0.0307692307692307,1.0,True,Ba2Cd0.2Cu3Y0.8O7,Ba2Cu3Y1O7,92.8,Cuprate,True,Ba15.385Cd1.538Cu23.077Y6.154O53.84615384615385,Ba-Cd-Cu-Y-O,5,Supercon,Y0.8Cd0.2Ba2Cu3O7,MP-mp-20674,Ba2Y1Cu3O7,Ba-Cu-Y-O,Ba15.385Cu23.077Y7.692O53.84615384615385,P m m m,orthorhombic,3.844668,3.926152,11.823664,data/final/MP/cifs/Ba2Cd0.2Cu3Y0.8O7-MP-mp-20674-synth_doped.cif,data/source/MP/raw/cifs/mp-20674.cif,mp-20674,0.0,,2014-02-22 18:23:22,6.198285186087997,10.17188/1195834,"@misc{osti_1195834,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2YCu3O7 (SG:47) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195834"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686609'}},0.0313759126602519,3.28295453,520.0,-80.7708035,-6.213138730769231,"{'tags': ['Yttrium barium copper oxide (1/2/3/7)', 'Dibarium yttrium dicopper copper(III) oxide', 'Yttrium barium copper oxide (1/2/3/6.93)', 'Dibarium yttrium copper(III) dicopper oxide', 'High pressure experimental phase', 'Yttrium dibarium dicopper copper(III) oxide']}",-80.7708035,-6.213138730769231,-2.180157206282052,"['xas', 'elasticity', 'bandstructure']",True,"[196266, 196264, 196265, 71423, 66620, 63483, 66621, 164530, 56507, 63487, 66602, 66601, 68394, 63486, 63485, 202774, 62466, 62465, 41646, 65224, 202773, 66600, 63335, 66611, 78598, 66617, 81175, 66610, 66619, 66615, 63484, 86958, 262809, 66609, 184677, 202775, 66616, 63488, 66618, 66623, 202771, 66622, 202772, 77737, 202770, 62928, 77745]",True,2021-05-12 10:56:14.760000,NM,13,14,mp-20674,oxide,Ba2YCu3O7,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Y_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Y': 1.0, 'Cu': 3.0, 'O': 7.0}",GGA,mp-20674,"['mp-923155', 'mp-917354', 'mp-922372', 'mp-20674', 'mp-1103385', 'mp-1103741', 'mp-1103748', 'mp-1104329', 'mp-1104589', 'mp-1440689', 'mp-1686609', 'mp-1832558', 'mp-1596594', 'mp-1592890']",0.0001806,"{'Ba': 2.0, 'Y': 1.0, 'Cu': 3.0, 'O': 7.0}",178.47526348558395,[],NM,False,47,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.0119049355799813e-06,0.0001806,0,0.0001806,MP,data/source/MP/cleaned/cifs/MP-mp-20674.cif,True,,data/final/MP/graphs/Ba2Cd0.2Cu3Y0.8O7-MP-mp-20674-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
As2Ba0.694Co0.174Fe1.826K0.306,3,0.1471999999999999,2.0,False,As4Ba1.388Co0.348Fe3.652K0.612,As4Ba1Fe4K1,18.0,Ferrite,True,As40Ba13.88Co3.48Fe36.52K6.12,As-Ba-Co-Fe-K,5,Supercon,Ba0.694K0.306Fe1.826Co0.174As2,MP-mp-1223517,K1Ba1Fe4As4,As-Ba-Fe-K,As40Ba10Fe40K10,C m m m,orthorhombic,5.479027,5.480024002658328,7.13170472,data/final/MP/cifs/As2Ba0.694Co0.174Fe1.826K0.306-MP-mp-1223517-synth_doped.cif,data/source/MP/raw/cifs/mp-1223517.cif,mp-1223517,0.0,,2019-01-12 23:54:03.876000,5.87534599912672,,,{'GGA': {'task_id': 'mp-1743010'}},0.0132513644999994,4.21185628,520.0,-59.66633886,-5.966633886,{'tags': []},-59.66633886,-5.966633886,-0.4120461663000007,[],False,[],True,2021-05-12 11:00:52.054000,FM,10,4,mp-1223517,,KBa(FeAs)4,"{'functional': 'PBE', 'labels': ['K_sv', 'Ba_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'K': 1.0, 'Ba': 1.0, 'Fe': 4.0, 'As': 4.0}",GGA,mp-1223517,"['mp-1223517', 'mp-1396881', 'mp-1743010', 'mp-1827585']",0.9947188,"{'K': 1.0, 'Ba': 1.0, 'Fe': 4.0, 'As': 4.0}",197.6961518155852,[],FM,True,65,1,"[0.0, 0.0, 0.3, 0.3, 0.3, 0.3, 0.0, 0.0, 0.0, 0.0]",0.0050315536790412,0.9947188,4,0.9947188,MP,data/source/MP/cleaned/cifs/MP-mp-1223517.cif,True,,data/final/MP/graphs/As2Ba0.694Co0.174Fe1.826K0.306-MP-mp-1223517-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Al3Nd1Pd2,1,0.0,1.0,True,Al3Nd1Pd2,Al3Nd1Pd2,0.0,Other,True,Al50Nd16.667Pd33.333,Al-Nd-Pd,3,Supercon,Nd1Pd2Al3,MP-mp-12734,Nd1Al3Pd2,Al-Nd-Pd,Al50Nd16.667Pd33.333,P 6/m m m,hexagonal,4.228675,5.493732004122818,5.49373246,data/final/MP/cifs/Al3Nd1Pd2-MP-mp-12734.cif,data/source/MP/raw/cifs/mp-12734.cif,mp-12734,0.0,,2011-05-28 00:02:28,6.580814830789133,10.17188/1189151,"@misc{osti_1189151,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NdAl3Pd2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189151"",
    place = ""United States"",
    year = ""2015"",
    month = ""1"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701866'}},0.0,5.93915494,520.0,-31.46982452,-5.244970753333333,{'tags': ['Neodymium palladium aluminide (1/2/3)']},-31.46982452,-5.244970753333333,-0.8508650333333332,"['xas', 'elasticity', 'bandstructure']",True,[150136],True,2021-05-12 10:56:12.755000,NM,6,9,mp-12734,,NdAl3Pd2,"{'functional': 'PBE', 'labels': ['Nd_3', 'Al', 'Pd'], 'pot_type': 'paw'}","{'Nd': 1.0, 'Al': 3.0, 'Pd': 2.0}",GGA,mp-12734,"['mp-905293', 'mp-918517', 'mp-919522', 'mp-12734', 'mp-1248331', 'mp-1428214', 'mp-1701866', 'mp-1804388', 'mp-1590763']",0.0001568,"{'Nd': 1.0, 'Al': 3.0, 'Pd': 2.0}",110.52739310388225,[],NM,False,191,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",1.418652838872506e-06,0.0001568,0,0.0001568,MP,data/source/MP/cleaned/cifs/MP-mp-12734.cif,False,,data/final/MP/graphs/Al3Nd1Pd2-MP-mp-12734.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Be13Hf1,1,0.0,2.0,False,Be26Hf2,Be26Hf2,0.0,Other,True,Be92.857Hf7.143,Be-Hf,2,Supercon,Be13Hf1,MP-mp-1878,Hf2Be26,Be-Hf,Be92.857Hf7.143,F m -3 c,cubic,7.04029735,7.04029735,7.04029735,data/final/MP/cifs/Be13Hf1-MP-mp-1878.cif,data/source/MP/raw/cifs/mp-1878.cif,mp-1878,0.0,,2011-05-15 06:42:30,3.9792073215446098,10.17188/1193475,"@misc{osti_1193475,
    author = ""Persson, Kristin"",
    title = ""Materials Data on HfBe13 (SG:226) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1193475"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1709261'}},0.0,4.51330414,520.0,-122.05253808,-4.3590192171428574,"{'tags': ['Beryllium hafnium (13/1)', 'Hafnium beryllium (1/13)']}",-122.05253808,-4.3590192171428574,-0.175479496071429,"['xas', 'bandstructure']",True,"[616281, 150775, 616292, 616289]",True,2021-05-12 10:56:55.092000,NM,28,8,mp-1878,,HfBe13,"{'functional': 'PBE', 'labels': ['Hf_pv', 'Be_sv'], 'pot_type': 'paw'}","{'Hf': 1.0, 'Be': 13.0}",GGA,mp-1878,"['mp-919609', 'mp-918599', 'mp-905404', 'mp-1878', 'mp-1430671', 'mp-1709261', 'mp-1924769', 'mp-1605885']",0.0002564,"{'Hf': 2.0, 'Be': 26.0}",246.75048171598584,[],NM,False,226,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.078212761465819e-06,0.0002564,0,0.0005128,MP,data/source/MP/cleaned/cifs/MP-mp-1878.cif,False,,data/final/MP/graphs/Be13Hf1-MP-mp-1878.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Mn0.24Ni0.76,2,0.02,4.0,False,Mn0.96Ni3.04,Mn1Ni3,0.0,Other,True,Mn24Ni76,Mn-Ni,2,Supercon,Mn0.24Ni0.76,MP-mp-11501,Mn1Ni3,Mn-Ni,Mn25Ni75,P m -3 m,cubic,3.560597,3.560597,3.560597,data/final/MP/cifs/Mn0.24Ni0.76-MP-mp-11501-synth_doped.cif,data/source/MP/raw/cifs/mp-11501.cif,mp-11501,0.0,,2011-05-28 10:34:16,8.498199320047505,10.17188/1188013,"@misc{osti_1188013,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MnNi3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1188013"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677535'}},0.0,7.10660496,520.0,-26.96478526,-6.741196315,{'tags': ['Manganese nickel (1/3)']},-26.96478526,-6.741196315,-0.1155899819827581,"['xas', 'elasticity', 'bandstructure']",True,[104920],True,2021-05-12 10:56:10.715000,FM,4,8,mp-11501,,MnNi3,"{'functional': 'PBE', 'labels': ['Mn_pv', 'Ni_pv'], 'pot_type': 'paw'}","{'Mn': 1.0, 'Ni': 3.0}",GGA,mp-11501,"['mp-993467', 'mp-991515', 'mp-11501', 'mp-1438579', 'mp-1677535', 'mp-1794589', 'mp-994798', 'mp-1588250']",4.8971813,"{'Mn': 1.0, 'Ni': 3.0}",45.1407182242609,[],FM,True,221,2,"[3.2, 0.6, 0.6, 0.6]",0.1084870044749976,4.8971813,4,4.8971813,MP,data/source/MP/cleaned/cifs/MP-mp-11501.cif,True,,data/final/MP/graphs/Mn0.24Ni0.76-MP-mp-11501-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ge12Pr1Pt4,1,0.0,1.0,True,Ge12Pr1Pt4,Ge12Pr1Pt4,7.876,Heavy_fermion,True,Ge70.588Pr5.882Pt23.529,Ge-Pr-Pt,3,Supercon,Pr1Pt4Ge12,MP-mp-1105939,Pr1Ge12Pt4,Ge-Pr-Pt,Ge70.588Pr5.882Pt23.529,I m -3,cubic,7.560907531676135,7.560907530000001,7.56090753,data/final/MP/cifs/Ge12Pr1Pt4-MP-mp-1105939.cif,data/source/MP/raw/cifs/mp-1105939.cif,mp-1105939,0.0,,2018-07-19 06:58:09,8.947691530234051,,,{'GGA': {'task_id': 'mp-1705662'}},0.0059454020588258,4.25899828,520.0,-91.15368674,-5.361981572941176,{'tags': ['Praseodymium platinum germanide (1/4/12)']},-91.15368674,-5.361981572941176,-0.3889895585294119,['bandstructure'],True,[174554],True,2021-05-12 10:58:22.271000,NM,17,5,mp-1105939,,Pr(Ge3Pt)4,"{'functional': 'PBE', 'labels': ['Pr_3', 'Ge_d', 'Pt'], 'pot_type': 'paw'}","{'Pr': 1.0, 'Ge': 12.0, 'Pt': 4.0}",GGA,mp-1105939,"['mp-1105939', 'mp-1427343', 'mp-1705662', 'mp-1805701', 'mp-1584493']",0.0022709,"{'Pr': 1.0, 'Ge': 12.0, 'Pt': 4.0}",332.73607546662794,[],NM,False,204,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.824928727115922e-06,0.0022709,0,0.0022709,MP,data/source/MP/cleaned/cifs/MP-mp-1105939.cif,False,,data/final/MP/graphs/Ge12Pr1Pt4-MP-mp-1105939.json,0,True,m-3,2,0,0,0,0,0,0,0,0,1,0,1.0,False
Fe0.3Ni0.7Zr2,3,0.1333333333333333,2.0,False,Fe0.6Ni1.4Zr4,Fe1Ni1Zr4,2.02,Other,True,Fe10Ni23.333Zr66.667,Fe-Ni-Zr,3,Supercon,Fe0.3Ni0.7Zr2,MP-mp-1215366,Zr4Fe1Ni1,Fe-Ni-Zr,Fe16.667Ni16.667Zr66.667,I 4 2 2,tetragonal,5.277062429600079,5.27706243,5.27706243,data/final/MP/cifs/Fe0.3Ni0.7Zr2-MP-mp-1215366-synth_doped.cif,data/source/MP/raw/cifs/mp-1215366.cif,mp-1215366,0.0,,2019-01-12 17:04:02.444000,7.137405118353338,,,{'GGA': {'task_id': 'mp-1735927'}},0.0198735593333339,4.811196,520.0,-49.72189863,-8.286983105,{'tags': []},-49.72189863,-8.286983105,-0.21349183,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,FM,6,5,mp-1215366,,Zr4FeNi,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Fe_pv', 'Ni_pv'], 'pot_type': 'paw'}","{'Zr': 4.0, 'Fe': 1.0, 'Ni': 1.0}",GGA,mp-1215366,"['mp-1215366', 'mp-1445478', 'mp-1735927', 'mp-1803005', 'mp-1627881']",0.2630035,"{'Zr': 4.0, 'Fe': 1.0, 'Ni': 1.0}",111.54187521523264,[],FM,True,97,1,"[0.0, 0.0, 0.0, 0.0, 0.3, 0.0]",0.0023578902496708,0.2630035,1,0.2630035,MP,data/source/MP/cleaned/cifs/MP-mp-1215366.cif,True,,data/final/MP/graphs/Fe0.3Ni0.7Zr2-MP-mp-1215366-synth_doped.json,0,True,422,0,0,0,0,4,0,0,0,0,1,0,1.0,False
P3Pd7,1,0.0,2.0,False,P6Pd14,P6Pd14,0.85,Other,True,P30Pd70,P-Pd,2,Supercon,P3Pd7,MP-mp-505363,P6Pd14,P-Pd,P30Pd70,R 3,trigonal,7.167933413972403,7.383414869999999,7.38341487,data/final/MP/cifs/P3Pd7-MP-mp-505363.cif,data/source/MP/raw/cifs/mp-505363.cif,mp-505363,0.0,,2014-03-10 12:51:08,9.184453837200806,10.17188/1262507,"@misc{osti_1262507,
    author = ""Persson, Kristin"",
    title = ""Materials Data on P3Pd7 (SG:146) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1262507"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1708563'}},0.0,6.53922476,520.0,-114.47029739,-5.7235148695,{'tags': ['Palladium phosphide (7/3)']},-114.47029739,-5.7235148695,-0.4736068504999998,"['xas', 'bandstructure']",True,"[200055, 647919]",True,2021-05-12 10:57:08.928000,NM,20,9,mp-505363,,P3Pd7,"{'functional': 'PBE', 'labels': ['P', 'Pd'], 'pot_type': 'paw'}","{'P': 3.0, 'Pd': 7.0}",GGA,mp-505363,"['mp-939995', 'mp-916886', 'mp-937451', 'mp-505363', 'mp-1116383', 'mp-1425755', 'mp-1708563', 'mp-1808090', 'mp-1607523']",5.29e-05,"{'P': 6.0, 'Pd': 14.0}",302.9687823481401,[],NM,False,146,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.4921089618542177e-07,5.29e-05,0,0.0001058,MP,data/source/MP/cleaned/cifs/MP-mp-505363.cif,False,,data/final/MP/graphs/P3Pd7-MP-mp-505363.json,0,True,3,0,0,0,0,0,0,1,1,0,0,0,1.0,False
Cu1La2O4.054,2,0.0065616266353437,0.9867266074658771,True,Cu0.987La1.973O4,Cu1La2O4,29.1,Cuprate,True,Cu14.176La28.353O57.470938474624326,Cu-La-O,3,Supercon,La2Cu1O4.054,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La2O4.054-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La2O4.054-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Bi1F0.5La1S2O0.5,1,0.0,2.0,False,Bi2F1La2S4O1,Bi2F1La2S4O1,7.033529412,Oxide,True,Bi20F10La20S40O10,Bi-F-La-S-O,5,Supercon,La1Bi1S2F0.5O0.5,MP-mp-1223274,La2Bi2S4O1F1,Bi-F-La-S-O,Bi20F10La20S40O10,P -4 m 2,tetragonal,4.109577,4.109577,13.150136,data/final/MP/cifs/Bi1F0.5La1S2O0.5-MP-mp-1223274.cif,data/source/MP/raw/cifs/mp-1223274.cif,mp-1223274,0.0,,2019-01-12 23:41:28.903000,6.422922901673022,,,{'GGA': {'task_id': 'mp-1744170'}},0.0471324534999961,7.2695309,520.0,-59.26664004,-5.926664004,{'tags': []},-59.26664004,-5.926664004,-2.137031777,[],False,[],True,2021-05-12 11:00:52.054000,NM,10,4,mp-1223274,oxide,La2Bi2S4OF,"{'functional': 'PBE', 'labels': ['La', 'Bi', 'S', 'O', 'F'], 'pot_type': 'paw'}","{'La': 2.0, 'Bi': 2.0, 'S': 4.0, 'O': 1.0, 'F': 1.0}",GGA,mp-1223274,"['mp-1223274', 'mp-1388342', 'mp-1744170', 'mp-1861685']",0.0001151,"{'La': 2.0, 'Bi': 2.0, 'S': 4.0, 'O': 1.0, 'F': 1.0}",222.0876908666605,[],NM,False,115,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.182637522630872e-07,0.0001151,0,0.0001151,MP,data/source/MP/cleaned/cifs/MP-mp-1223274.cif,False,,data/final/MP/graphs/Bi1F0.5La1S2O0.5-MP-mp-1223274.json,0,True,-42m,0,0,0,0,6,0,0,1,0,0,0,1.0,False
Cr0.5Rh0.5,1,0.0,2.0,False,Cr1Rh1,Cr1Rh1,0.0,Other,True,Cr50Rh50,Cr-Rh,2,Supercon,Cr0.5Rh0.5,MP-mp-1226170,Cr1Rh1,Cr-Rh,Cr50Rh50,P -6 m 2,hexagonal,2.672958000175795,2.67295754,4.219386,data/final/MP/cifs/Cr0.5Rh0.5-MP-mp-1226170.cif,data/source/MP/raw/cifs/mp-1226170.cif,mp-1226170,0.0,,2019-01-13 02:10:40.652000,9.85237519211128,,,{'GGA': {'task_id': 'mp-1675493'}},0.076178058333328,6.91843737,520.0,-17.00969968,-8.50484984,{'tags': []},-17.00969968,-8.50484984,0.0038278300000005,['bandstructure'],True,[],True,2021-05-12 10:58:45.495000,NM,2,5,mp-1226170,,CrRh,"{'functional': 'PBE', 'labels': ['Cr_pv', 'Rh_pv'], 'pot_type': 'paw'}","{'Cr': 1.0, 'Rh': 1.0}",GGA,mp-1226170,"['mp-1226170', 'mp-1428865', 'mp-1675493', 'mp-1791958', 'mp-1606104']",0.0038215,"{'Cr': 1.0, 'Rh': 1.0}",26.10742620569309,[],NM,False,187,0,"[0.0, 0.0]",0.0001463759763176,0.0038215,0,0.0038215,MP,data/source/MP/cleaned/cifs/MP-mp-1226170.cif,False,,data/final/MP/graphs/Cr0.5Rh0.5-MP-mp-1226170.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Cs0.25W1O3,2,0.0361990950226243,3.0,False,Cs0.75W3O9,Cs1W3O9,4.0,Oxide,True,Cs5.882W23.529O70.58823529411765,Cs-W-O,3,Supercon,Cs0.25W1O3,MP-mp-753119,Cs1W3O9,Cs-W-O,Cs7.692W23.077O69.23076923076923,P 6/m m m,hexagonal,3.887459,7.544746001131922,7.54474626,data/final/MP/cifs/Cs0.25W1O3-MP-mp-753119-synth_doped.cif,data/source/MP/raw/cifs/mp-753119.cif,mp-753119,0.0,,2014-02-13 20:26:51,7.178173970651413,,,{'GGA+U': {'task_id': 'mp-1729896'}},0.0,3.52433864,520.0,-94.0038219,-7.231063223076924,{'tags': []},-94.0038219,-7.231063223076924,-2.24610700561008,['bandstructure'],True,[],True,2021-05-12 10:58:57.544000,FM,13,8,mp-753119,oxide,Cs(WO3)3,"{'functional': 'PBE', 'labels': ['Cs_sv', 'W_pv', 'O'], 'pot_type': 'paw'}","{'Cs': 1.0, 'W': 3.0, 'O': 9.0}",GGA+U,mp-753119,"['mp-763713', 'mp-880554', 'mp-894582', 'mp-753119', 'mp-1400201', 'mp-1729896', 'mp-1882816', 'mp-895340']",0.8712151,"{'Cs': 1.0, 'W': 3.0, 'O': 9.0}",191.6398049642021,[],FM,True,65,1,"[0.0, 0.3, 0.4, 0.4, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0045461072148489,0.8712151,3,0.8712151,MP,data/source/MP/cleaned/cifs/MP-mp-753119.cif,True,,data/final/MP/graphs/Cs0.25W1O3-MP-mp-753119-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
B1.81C0.19Mg1,3,0.1266666666666666,1.0,True,B1.81C0.19Mg1,B2Mg1,30.335,Other,True,B60.333C6.333Mg33.333,B-C-Mg,3,Supercon,Mg1B1.81C0.19,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B1.81C0.19Mg1-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B1.81C0.19Mg1-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Rb0.18W1O3,3,0.0677217519322783,3.0,False,Rb0.54W3O9,Rb1W3O9,4.24,Oxide,True,Rb4.306W23.923O71.77033492822967,Rb-W-O,3,Supercon,Rb0.18W1O3,MP-mp-565431,Rb1W3O9,Rb-W-O,Rb7.692W23.077O69.23076923076923,P 6/m m m,hexagonal,3.882989,7.530094003231798,7.530093400000001,data/final/MP/cifs/Rb0.18W1O3-MP-mp-565431-synth_doped.cif,data/source/MP/raw/cifs/mp-565431.cif,mp-565431,0.0,,2014-02-23 19:51:49,6.801313653620402,10.17188/1272509,"@misc{osti_1272509,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Rb(WO3)3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1272509"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1672885'}},0.0038003846153671,3.17423124,520.0,-93.98226341,-7.229404877692308,{'tags': ['Rubidium tungsten oxide (0.33/1/3)']},-93.98226341,-7.229404877692308,-2.2379000678846164,"['xas', 'bandstructure']",True,[96419],True,2021-05-12 10:57:23.123000,FM,13,15,mp-565431,oxide,Rb(WO3)3,"{'functional': 'PBE', 'labels': ['Rb_sv', 'W_pv', 'O'], 'pot_type': 'paw'}","{'Rb': 1.0, 'W': 3.0, 'O': 9.0}",GGA+U,mp-565431,"['mp-704837', 'mp-932684', 'mp-940813', 'mp-940952', 'mp-565431', 'mp-1179797', 'mp-1192870', 'mp-1414087', 'mp-1427299', 'mp-1672885', 'mp-1670084', 'mp-1833003', 'mp-1609186', 'mp-1605159', 'mp-1984777']",0.8587592,"{'Rb': 1.0, 'W': 3.0, 'O': 9.0}",190.6766621234564,[],FM,True,65,1,"[0.0, 0.4, 0.4, 0.3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0045037457150575,0.8587592,3,0.8587592,MP,data/source/MP/cleaned/cifs/MP-mp-565431.cif,True,,data/final/MP/graphs/Rb0.18W1O3-MP-mp-565431-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
C3Nd0.2Th1.8,3,0.0799999999999999,4.0,False,C12Nd0.8Th7.2,C12Th8,0.0,Other,True,C60Nd4Th36,C-Nd-Th,3,Supercon,C3Nd0.2Th1.8,MP-mp-1188514,Th8C12,C-Th,C60Th40,I -4 3 d,cubic,7.414620251643706,7.41462025,7.41462025,data/final/MP/cifs/C3Nd0.2Th1.8-MP-mp-1188514-synth_doped.cif,data/source/MP/raw/cifs/mp-1188514.cif,mp-1188514,0.0,,2019-01-11 19:30:01.530000,10.585910862659652,,,{'GGA': {'task_id': 'mp-1669546'}},0.0,8.12401413,520.0,-175.32363419,-8.7661817095,"{'tags': ['Pu2C3', 'Th2C3 hp', 'Thorium carbide (2/3)']}",-175.32363419,-8.7661817095,-0.2645699894999992,['bandstructure'],True,[618903],True,2021-05-12 10:58:33.577000,NM,20,5,mp-1188514,,Th2C3,"{'functional': 'PBE', 'labels': ['Th', 'C'], 'pot_type': 'paw'}","{'Th': 2.0, 'C': 3.0}",GGA,mp-1188514,"['mp-1188514', 'mp-1415692', 'mp-1669546', 'mp-1811506', 'mp-1605961']",0.000101475,"{'Th': 8.0, 'C': 12.0}",313.7941543668512,[],NM,False,220,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.2935231404134748e-06,0.000101475,0,0.0004059,MP,data/source/MP/cleaned/cifs/MP-mp-1188514.cif,True,,data/final/MP/graphs/C3Nd0.2Th1.8-MP-mp-1188514-synth_doped.json,0,True,-43m,5,0,0,0,0,0,0,0,0,1,0,1.0,False
Ru2Si2Th1,1,0.0,1.0,True,Ru2Si2Th1,Ru2Si2Th1,1.1,Other,True,Ru40Si40Th20,Ru-Si-Th,3,Supercon,Th1Ru2Si2,MP-mp-5165,Th1Si2Ru2,Ru-Si-Th,Ru40Si40Th20,I 4/m m m,tetragonal,4.224186001722848,4.224186001722848,5.72460482,data/final/MP/cifs/Ru2Si2Th1-MP-mp-5165.cif,data/source/MP/raw/cifs/mp-5165.cif,mp-5165,0.0,,2015-02-14 21:57:06,9.343965546773807,10.17188/1263118,"@misc{osti_1263118,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Th(SiRu)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1263118"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696152'}},0.0,8.47164138,520.0,-41.56354065,-8.31270813,{'tags': ['Ruthenium thorium silicide (2/1/2)']},-41.56354065,-8.31270813,-0.9216550099999992,"['xas', 'elasticity', 'bandstructure']",True,"[603984, 650642]",True,2021-05-12 10:56:20.740000,NM,5,9,mp-5165,,Th(SiRu)2,"{'functional': 'PBE', 'labels': ['Th', 'Si', 'Ru_pv'], 'pot_type': 'paw'}","{'Th': 1.0, 'Si': 2.0, 'Ru': 2.0}",GGA,mp-5165,"['mp-944299', 'mp-933380', 'mp-943644', 'mp-1170741', 'mp-5165', 'mp-1475959', 'mp-1696152', 'mp-1783390', 'mp-1590130']",0.0004318,"{'Th': 1.0, 'Si': 2.0, 'Ru': 2.0}",87.14113577631088,[],NM,False,139,0,"[0, 0, 0, 0, 0]",4.955179848796323e-06,0.0004318,0,0.0004318,MP,data/source/MP/cleaned/cifs/MP-mp-5165.cif,False,,data/final/MP/graphs/Ru2Si2Th1-MP-mp-5165.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ru1Se2,1,0.0,4.0,False,Ru4Se8,Ru4Se8,0.0,Other,True,Ru33.333Se66.667,Ru-Se,2,Supercon,Ru1Se2,MP-mp-1922,Ru4Se8,Ru-Se,Ru33.333Se66.667,P a -3,cubic,6.008491,6.008491,6.008491,data/final/MP/cifs/Ru1Se2-MP-mp-1922.cif,data/source/MP/raw/cifs/mp-1922.cif,mp-1922,0.4790999999999998,,2011-05-14 22:28:37,7.930413627582977,10.17188/1194083,"@misc{osti_1194083,
    author = ""Persson, Kristin"",
    title = ""Materials Data on RuSe2 (SG:205) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1194083"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701789'}},0.0,5.77189413,520.0,-70.16364683,-5.846970569166667,"{'tags': ['Ruthenium perselenide (1/1)', 'Ruthenium selenide (1/2)', 'Ruthenium(IV) selenide']}",-70.16364683,-5.846970569166667,-0.7395663657291666,"['xas', 'bandstructure', 'diel', 'phonons', 'elasticity']",True,"[650611, 650607, 24201, 650610, 68473, 657508, 650609]",True,2021-05-12 10:56:14.760000,NM,12,9,mp-1922,,RuSe2,"{'functional': 'PBE', 'labels': ['Ru_pv', 'Se'], 'pot_type': 'paw'}","{'Ru': 1.0, 'Se': 2.0}",GGA,mp-1922,"['mp-660971', 'mp-660311', 'mp-670534', 'mp-1922', 'mp-1140966', 'mp-1432954', 'mp-1701789', 'mp-1830723', 'mp-1592326']",0.0001995,"{'Ru': 4.0, 'Se': 8.0}",216.9183263596344,[],NM,False,205,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.678803969181358e-06,0.0001995,0,0.000798,MP,data/source/MP/cleaned/cifs/MP-mp-1922.cif,False,,data/final/MP/graphs/Ru1Se2-MP-mp-1922.json,0,True,m-3,2,0,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Cu1Hg1O4.16,2,0.0196078431372549,0.9617596153846152,True,Ba1.923Cu0.962Hg0.962O4,Ba2Cu1Hg1O4,88.0,Cuprate,True,Ba24.51Cu12.255Hg12.255O50.98039215686274,Ba-Cu-Hg-O,4,Supercon,Hg1Ba2Cu1O4.16,MP-mp-6562,Ba2Cu1Hg1O4,Ba-Cu-Hg-O,Ba25Cu12.5Hg12.5O50,P 4/m m m,tetragonal,3.933714,3.933714,9.827602,data/final/MP/cifs/Ba2Cu1Hg1O4.16-MP-mp-6562-synth_doped.cif,data/source/MP/raw/cifs/mp-6562.cif,mp-6562,0.0,,2011-05-13 18:18:06,6.582036471328142,10.17188/1281336,"@misc{osti_1281336,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2CuHgO4 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281336"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697135'}},0.0234340381250053,2.58068675,520.0,-40.91481298,-5.1143516225,"{'tags': ['Mercury dibarium copper oxide', 'High pressure experimental phase']}",-40.91481298,-5.1143516225,-1.953767533125,"['xas', 'bandstructure']",True,"[75722, 75720, 75724, 75721, 75723]",True,2021-05-12 10:57:32.679000,NM,8,8,mp-6562,oxide,Ba2CuHgO4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Cu_pv', 'Hg', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",GGA,mp-6562,"['mp-6562', 'mp-990899', 'mp-992892', 'mp-1435690', 'mp-1697135', 'mp-1878488', 'mp-994198', 'mp-1592659']",0.0003984,"{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",152.07335344042525,[],NM,False,123,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.619788352047311e-06,0.0003984,0,0.0003984,MP,data/source/MP/cleaned/cifs/MP-mp-6562.cif,True,,data/final/MP/graphs/Ba2Cu1Hg1O4.16-MP-mp-6562-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Bi1.08K0.92O3,2,0.032,1.0,True,Bi1.08K0.92O3,Bi1K1O3,0.0,Oxide,True,Bi21.6K18.4O60,Bi-K-O,3,Supercon,K0.92Bi1.08O3,MP-mp-982040,K1Bi1O3,Bi-K-O,Bi20K20O60,P m -3 m,cubic,4.284204,4.284204,4.284204,data/final/MP/cifs/Bi1.08K0.92O3-MP-mp-982040-synth_doped.cif,data/source/MP/raw/cifs/mp-982040.cif,mp-982040,0.0,,2015-10-12 11:25:13,6.252348761231978,10.17188/1316390,"@misc{osti_1316390,
    author = ""Persson, Kristin"",
    title = ""Materials Data on KBiO3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1316390"",
    place = ""United States"",
    year = ""2016"",
    month = ""9"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1717462'}},0.0928686834999998,1.80216133,520.0,-25.20286901,-5.040573802,{'tags': []},-25.20286901,-5.040573802,-1.4839105476,"['xas', 'elasticity']",False,[],True,2021-05-12 10:56:37.246000,NM,5,9,mp-982040,oxide,KBiO3,"{'functional': 'PBE', 'labels': ['K_sv', 'Bi', 'O'], 'pot_type': 'paw'}","{'K': 1.0, 'Bi': 1.0, 'O': 3.0}",GGA,mp-982040,"['mp-982222', 'mp-1006156', 'mp-982040', 'mp-1006117', 'mp-1431172', 'mp-1717462', 'mp-1798749', 'mp-1011221', 'mp-1585048']",0.0005425,"{'K': 1.0, 'Bi': 1.0, 'O': 3.0}",78.63401066432932,[],NM,False,221,0,"[0, 0, 0, 0, 0]",6.899050365315956e-06,0.0005425,0,0.0005425,MP,data/source/MP/cleaned/cifs/MP-mp-982040.cif,True,,data/final/MP/graphs/Bi1.08K0.92O3-MP-mp-982040-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ti0.5Zr0.5,1,0.0,2.0,False,Ti1Zr1,Ti1Zr1,1.6125,Other,True,Ti50Zr50,Ti-Zr,2,Supercon,Ti0.5Zr0.5,MP-mp-1215200,Zr1Ti1,Ti-Zr,Ti50Zr50,P -6 m 2,hexagonal,3.1089940029701246,3.10899419,4.920467,data/final/MP/cifs/Ti0.5Zr0.5-MP-mp-1215200.cif,data/source/MP/raw/cifs/mp-1215200.cif,mp-1215200,0.0,,2019-01-12 16:55:51.344000,5.607526945970661,,,{'GGA': {'task_id': 'mp-1674508'}},0.079636073333333,4.90262522,520.0,-16.2839205,-8.14196025,{'tags': []},-16.2839205,-8.14196025,0.079636073333333,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,NM,2,5,mp-1215200,,ZrTi,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Ti_pv'], 'pot_type': 'paw'}","{'Zr': 1.0, 'Ti': 1.0}",GGA,mp-1215200,"['mp-1215200', 'mp-1427113', 'mp-1674508', 'mp-1927600', 'mp-1584050']",0.0010738,"{'Zr': 1.0, 'Ti': 1.0}",41.18857413220695,[],NM,False,187,0,"[0, 0]",2.607033680149549e-05,0.0010738,0,0.0010738,MP,data/source/MP/cleaned/cifs/MP-mp-1215200.cif,False,,data/final/MP/graphs/Ti0.5Zr0.5-MP-mp-1215200.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
B4Dy1Rh4,1,0.0,2.0,False,B8Dy2Rh8,B8Dy2Rh8,0.0,Other,True,B44.444Dy11.111Rh44.444,B-Dy-Rh,3,Supercon,Dy1Rh4B4,MP-mp-1105740,Dy2B8Rh8,B-Dy-Rh,B44.444Dy11.111Rh44.444,P 42/n m c,tetragonal,5.342608,5.342608,7.462466,data/final/MP/cifs/B4Dy1Rh4-MP-mp-1105740.cif,data/source/MP/raw/cifs/mp-1105740.cif,mp-1105740,0.0,,2018-07-19 06:00:23,9.62571093588237,,,{'GGA': {'task_id': 'mp-1670860'}},0.0133173579629639,6.85745418,520.0,-131.98284739,-7.332380410555555,{'tags': ['Dysprosium rhodium boride (1/4/4)']},-131.98284739,-7.332380410555555,-0.5788709212962951,['bandstructure'],True,"[601528, 613679]",True,2021-05-12 10:58:22.271000,NM,18,6,mp-1105740,,Dy(BRh)4,"{'functional': 'PBE', 'labels': ['Dy_3', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Dy': 1.0, 'B': 4.0, 'Rh': 4.0}",GGA,mp-1105740,"['mp-1105740', 'mp-1106141', 'mp-1424385', 'mp-1670860', 'mp-1786907', 'mp-1603746']",9.05e-06,"{'Dy': 2.0, 'B': 8.0, 'Rh': 8.0}",213.0046015757694,[],NM,False,137,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",8.497469005880381e-08,9.05e-06,0,1.81e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1105740.cif,False,,data/final/MP/graphs/B4Dy1Rh4-MP-mp-1105740.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As1Co0.028Fe0.972Na1,2,0.0186666666666666,2.0,False,As2Co0.056Fe1.944Na2,As2Fe2Na2,20.1,Ferrite,True,As33.333Co0.933Fe32.4Na33.333,As-Co-Fe-Na,4,Supercon,Na1Fe0.972Co0.028As1,MP-mp-22152,Na2Fe2As2,As-Fe-Na,As33.333Fe33.333Na33.333,P 4/n m m,tetragonal,3.923688,3.923688,6.918844,data/final/MP/cifs/As1Co0.028Fe0.972Na1-MP-mp-22152-synth_doped.cif,data/source/MP/raw/cifs/mp-22152.cif,mp-22152,0.0,,2014-02-21 10:51:39,4.793908463406792,10.17188/1197381,"@misc{osti_1197381,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NaFeAs (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197381"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704688'}},0.0,4.10723066,520.0,-30.57538864,-5.095898106666667,{'tags': ['Sodium iron arsenide']},-30.57538864,-5.095898106666667,-0.2786807238505749,"['xas', 'elasticity', 'bandstructure']",True,"[163144, 163143]",True,2021-05-12 10:56:16.728000,FM,6,8,mp-22152,,NaFeAs,"{'functional': 'PBE', 'labels': ['Na_pv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Na': 1.0, 'Fe': 1.0, 'As': 1.0}",GGA,mp-22152,"['mp-906352', 'mp-920130', 'mp-919102', 'mp-22152', 'mp-1413190', 'mp-1704688', 'mp-1797758', 'mp-1594769']",0.0693226,"{'Na': 2.0, 'Fe': 2.0, 'As': 2.0}",106.5178694490858,[],FM,True,129,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0]",0.0013016144682303,0.0693226,2,0.1386452,MP,data/source/MP/cleaned/cifs/MP-mp-22152.cif,True,,data/final/MP/graphs/As1Co0.028Fe0.972Na1-MP-mp-22152-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
B2Ir3La1,1,0.0,1.0,True,B2Ir3La1,B2Ir3La1,1.65,Other,True,B33.333Ir50La16.667,B-Ir-La,3,Supercon,La1Ir3B2,MP-mp-10112,La1B2Ir3,B-Ir-La,B33.333Ir50La16.667,P 6/m m m,hexagonal,3.120135,5.594201999741475,5.59420196,data/final/MP/cifs/B2Ir3La1-MP-mp-10112.cif,data/source/MP/raw/cifs/mp-10112.cif,mp-10112,0.0,,2011-05-28 01:51:04,14.47576216457384,10.17188/1186096,"@misc{osti_1186096,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaB2Ir3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1186096"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702238'}},0.0,9.80322913,520.0,-48.7101104,-8.118351733333332,{'tags': ['Lanthanum iridium boride (1/3/2)']},-48.7101104,-8.118351733333332,-0.6500047488888884,"['xas', 'bandstructure']",True,[44422],True,2021-05-12 10:56:51.169000,NM,6,8,mp-10112,,LaB2Ir3,"{'functional': 'PBE', 'labels': ['La', 'B', 'Ir'], 'pot_type': 'paw'}","{'La': 1.0, 'B': 2.0, 'Ir': 3.0}",GGA,mp-10112,"['mp-10112', 'mp-910261', 'mp-925716', 'mp-926146', 'mp-1437025', 'mp-1702238', 'mp-1800856', 'mp-1594409']",0.0003492,"{'La': 1.0, 'B': 2.0, 'Ir': 3.0}",84.56298428881057,[],NM,False,191,0,"[0, 0, 0, 0, 0, 0]",4.129466372749648e-06,0.0003492,0,0.0003492,MP,data/source/MP/cleaned/cifs/MP-mp-10112.cif,False,,data/final/MP/graphs/B2Ir3La1-MP-mp-10112.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Cu1La1.85Sr0.15O4,2,0.0428571428571428,1.0,True,Cu1La1.85Sr0.15O4,Cu1La2O4,34.7,Cuprate,True,Cu14.286La26.429Sr2.143O57.142857142857146,Cu-La-Sr-O,4,Supercon,Sr0.15La1.85Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La1.85Sr0.15O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La1.85Sr0.15O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Fe1Li1P1,1,0.0,2.0,False,Fe2Li2P2,Fe2Li2P2,4.965,Ferrite,True,Fe33.333Li33.333P33.333,Fe-Li-P,3,Supercon,Li1Fe1P1,MP-mp-20049,Li2Fe2P2,Fe-Li-P,Fe33.333Li33.333P33.333,P 4/n m m,tetragonal,3.699339,3.699339,5.872169,data/final/MP/cifs/Fe1Li1P1-MP-mp-20049.cif,data/source/MP/raw/cifs/mp-20049.cif,mp-20049,0.0,,2014-02-21 06:35:29,3.8747954523488577,10.17188/1195213,"@misc{osti_1195213,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LiFeP (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195213"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688378'}},0.0,4.82148601,520.0,-35.50066771,-5.916777951666667,"{'tags': ['Lithium iron phosphide', 'Iron lithium phosphide (1/1/1)', 'Iron lithium phosphide', 'Lithium iron phosphide (1/1/1)']}",-35.50066771,-5.916777951666667,-0.6527000105555558,"['xas', 'elasticity', 'bandstructure']",True,"[166456, 632441, 42327, 247248, 247089]",True,2021-05-12 10:56:14.760000,NM,6,7,mp-20049,,LiFeP,"{'functional': 'PBE', 'labels': ['Li_sv', 'Fe_pv', 'P'], 'pot_type': 'paw'}","{'Li': 1.0, 'Fe': 1.0, 'P': 1.0}",GGA,mp-20049,"['mp-925696', 'mp-910235', 'mp-926108', 'mp-20049', 'mp-1438702', 'mp-1688378', 'mp-1923530']",1.785e-05,"{'Li': 2.0, 'Fe': 2.0, 'P': 2.0}",80.36127304822737,[],NM,False,129,0,"[0, 0, 0, 0, 0, 0]",4.442438334516588e-07,1.785e-05,0,3.57e-05,MP,data/source/MP/cleaned/cifs/MP-mp-20049.cif,False,,data/final/MP/graphs/Fe1Li1P1-MP-mp-20049.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Rb0.23W1O3,2,0.045099108928896,3.0,False,Rb0.69W3O9,Rb1W3O9,3.25,Oxide,True,Rb5.437W23.641O70.92198581560282,Rb-W-O,3,Supercon,Rb0.23W1O3,MP-mp-565431,Rb1W3O9,Rb-W-O,Rb7.692W23.077O69.23076923076923,P 6/m m m,hexagonal,3.882989,7.530094003231798,7.530093400000001,data/final/MP/cifs/Rb0.23W1O3-MP-mp-565431-synth_doped.cif,data/source/MP/raw/cifs/mp-565431.cif,mp-565431,0.0,,2014-02-23 19:51:49,6.801313653620402,10.17188/1272509,"@misc{osti_1272509,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Rb(WO3)3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1272509"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1672885'}},0.0038003846153671,3.17423124,520.0,-93.98226341,-7.229404877692308,{'tags': ['Rubidium tungsten oxide (0.33/1/3)']},-93.98226341,-7.229404877692308,-2.2379000678846164,"['xas', 'bandstructure']",True,[96419],True,2021-05-12 10:57:23.123000,FM,13,15,mp-565431,oxide,Rb(WO3)3,"{'functional': 'PBE', 'labels': ['Rb_sv', 'W_pv', 'O'], 'pot_type': 'paw'}","{'Rb': 1.0, 'W': 3.0, 'O': 9.0}",GGA+U,mp-565431,"['mp-704837', 'mp-932684', 'mp-940813', 'mp-940952', 'mp-565431', 'mp-1179797', 'mp-1192870', 'mp-1414087', 'mp-1427299', 'mp-1672885', 'mp-1670084', 'mp-1833003', 'mp-1609186', 'mp-1605159', 'mp-1984777']",0.8587592,"{'Rb': 1.0, 'W': 3.0, 'O': 9.0}",190.6766621234564,[],FM,True,65,1,"[0.0, 0.4, 0.4, 0.3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0045037457150575,0.8587592,3,0.8587592,MP,data/source/MP/cleaned/cifs/MP-mp-565431.cif,True,,data/final/MP/graphs/Rb0.23W1O3-MP-mp-565431-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Th0.3Zr0.7,3,0.1,8.0,False,Th2.4Zr5.6,Th2Zr6,2.7,Other,True,Th30Zr70,Th-Zr,2,Supercon,Th0.3Zr0.7,MP-mp-1187462,Th2Zr6,Th-Zr,Th25Zr75,P 63/m m c,hexagonal,5.391709,6.650577994733422,6.65057843,data/final/MP/cifs/Th0.3Zr0.7-MP-mp-1187462-synth_doped.cif,data/source/MP/raw/cifs/mp-1187462.cif,mp-1187462,0.0,,2019-01-11 15:06:18.148000,8.132138926883359,,,{'GGA': {'task_id': 'mp-1754720'}},0.0787794274999988,5.3170662,520.0,-65.48368486,-8.1854606075,{'tags': []},-65.48368486,-8.1854606075,0.0787794274999988,['bandstructure'],True,[],True,2021-05-12 10:58:31.620000,NM,8,5,mp-1187462,,ThZr3,"{'functional': 'PBE', 'labels': ['Th', 'Zr_sv'], 'pot_type': 'paw'}","{'Th': 1.0, 'Zr': 3.0}",GGA,mp-1187462,"['mp-1187462', 'mp-1383128', 'mp-1754720', 'mp-1831363', 'mp-1621035']",0.01315685,"{'Th': 2.0, 'Zr': 6.0}",206.52655311299864,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.000127410735343,0.01315685,0,0.0263137,MP,data/source/MP/cleaned/cifs/MP-mp-1187462.cif,True,,data/final/MP/graphs/Th0.3Zr0.7-MP-mp-1187462-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
B1.924C0.076Mg1,3,0.0506666666666666,1.0,True,B1.924C0.076Mg1,B2Mg1,35.78,Other,True,B64.133C2.533Mg33.333,B-C-Mg,3,Supercon,Mg1B1.924C0.076,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B1.924C0.076Mg1-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B1.924C0.076Mg1-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
In3Rh1,1,0.0,4.0,False,In12Rh4,In12Rh4,0.095,Other,True,In75Rh25,In-Rh,2,Supercon,In3Rh1,MP-mp-18614,In12Rh4,In-Rh,In75Rh25,P 42/m n m,tetragonal,7.098843,7.098843,7.286948,data/final/MP/cifs/In3Rh1-MP-mp-18614.cif,data/source/MP/raw/cifs/mp-18614.cif,mp-18614,0.0,,2014-02-16 04:20:26,8.091796275203398,10.17188/1193271,"@misc{osti_1193271,
    author = ""Persson, Kristin"",
    title = ""Materials Data on In3Rh (SG:136) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1193271"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1676866'}},0.0,7.55479394,520.0,-67.07666686,-4.19229167875,"{'tags': ['Rhodium indide (1/3)', 'Rhodium indium (1/3)']}",-67.07666686,-4.19229167875,-0.28745191375,"['xas', 'bandstructure']",True,"[640336, 407549]",True,2021-05-12 10:56:55.092000,NM,16,9,mp-18614,,In3Rh,"{'functional': 'PBE', 'labels': ['In_d', 'Rh_pv'], 'pot_type': 'paw'}","{'In': 3.0, 'Rh': 1.0}",GGA,mp-18614,"['mp-928477', 'mp-927638', 'mp-911768', 'mp-18614', 'mp-1106151', 'mp-1382722', 'mp-1676866', 'mp-1843159', 'mp-1604334']",0.0005435,"{'In': 12.0, 'Rh': 4.0}",367.2153382511944,[],NM,False,136,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.920232009788412e-06,0.0005435,0,0.002174,MP,data/source/MP/cleaned/cifs/MP-mp-18614.cif,False,,data/final/MP/graphs/In3Rh1-MP-mp-18614.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Co0.96Mo0.04U6,2,0.0114285714285714,2.0,False,Co1.92Mo0.08U12,Co2U12,1.5,Heavy_fermion,True,Co13.714Mo0.571U85.714,Co-Mo-U,3,Supercon,Co0.96Mo0.04U6,MP-mp-582635,U12Co2,Co-U,Co14.286U85.714,I 4/m c m,tetragonal,5.159668002407489,7.66916902998628,7.66916903,data/final/MP/cifs/Co0.96Mo0.04U6-MP-mp-582635-synth_doped.cif,data/source/MP/raw/cifs/mp-582635.cif,mp-582635,0.0,,2015-02-18 18:20:36,18.350875555967026,10.17188/1276991,"@misc{osti_1276991,
    author = ""Persson, Kristin"",
    title = ""Materials Data on U6Co (SG:140) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276991"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1708365'}},0.0407774460714254,13.89719457,520.0,-150.2155255,-10.729680392857144,"{'tags': ['Cobalt uranium (1/6)', 'Uranium cobalt (6/1)']}",-150.2155255,-10.729680392857144,-0.0358549850000002,"['xas', 'bandstructure']",True,"[625513, 108323]",True,2021-05-12 10:57:26.891000,NM,14,8,mp-582635,,U6Co,"{'functional': 'PBE', 'labels': ['U', 'Co'], 'pot_type': 'paw'}","{'U': 6.0, 'Co': 1.0}",GGA,mp-582635,"['mp-934080', 'mp-944771', 'mp-944132', 'mp-1426228', 'mp-1708365', 'mp-1868026', 'mp-1603208', 'mp-582635']",0.027408,"{'U': 12.0, 'Co': 2.0}",269.13143073714446,[],NM,False,140,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, -0.0]",0.0002036774368934,0.027408,0,0.054816,MP,data/source/MP/cleaned/cifs/MP-mp-582635.cif,True,,data/final/MP/graphs/Co0.96Mo0.04U6-MP-mp-582635-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Au2Bi1,1,0.0,2.0,False,Au4Bi2,Au4Bi2,1.77,Other,True,Au66.667Bi33.333,Au-Bi,2,Supercon,Au2Bi1,MP-mp-570113,Bi2Au4,Au-Bi,Au66.667Bi33.333,F d -3 m,cubic,5.726106870000001,5.72610687,5.72610687,data/final/MP/cifs/Au2Bi1-MP-mp-570113.cif,data/source/MP/raw/cifs/mp-570113.cif,mp-570113,0.0,,2014-02-16 10:23:04,15.082411237519452,10.17188/1275525,"@misc{osti_1275525,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BiAu2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1275525"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703428'}},0.0,5.92291101,520.0,-21.15926221,-3.5265437016666668,"{'tags': ['Maldonite', 'Gold bismuth (2/1)']}",-21.15926221,-3.5265437016666668,-0.0472779050000002,"['xas', 'elasticity', 'bandstructure']",True,[52284],True,2021-05-12 10:56:27.046000,NM,6,5,mp-570113,,BiAu2,"{'functional': 'PBE', 'labels': ['Bi', 'Au'], 'pot_type': 'paw'}","{'Bi': 1.0, 'Au': 2.0}",GGA,mp-570113,"['mp-570113', 'mp-1427315', 'mp-1703428', 'mp-1789303', 'mp-1587317']",0.0002081,"{'Bi': 2.0, 'Au': 4.0}",132.7588099627604,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",3.1350085174516582e-06,0.0002081,0,0.0004162,MP,data/source/MP/cleaned/cifs/MP-mp-570113.cif,False,,data/final/MP/graphs/Au2Bi1-MP-mp-570113.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Al5Mo1,1,0.0,2.0,False,Al10Mo2,Al10Mo2,0.0,Other,True,Al83.333Mo16.667,Al-Mo,2,Supercon,Al5Mo1,MP-mp-568607,Al10Mo2,Al-Mo,Al83.333Mo16.667,P 63 2 2,hexagonal,4.918532000983188,4.918533159999999,8.875698,data/final/MP/cifs/Al5Mo1-MP-mp-568607.cif,data/source/MP/raw/cifs/mp-568607.cif,mp-568607,0.0,,2014-02-16 12:54:45,4.1228766771558485,10.17188/1274543,"@misc{osti_1274543,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Al5Mo (SG:182) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1274543"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702429'}},0.0409486141666661,8.42592328,520.0,-62.05798959,-5.1714991325,{'tags': ['Aluminium molybdenum (5/1) - HT']},-62.05798959,-5.1714991325,-0.2425787691666669,"['xas', 'elasticity', 'bandstructure']",True,[105521],True,2021-05-12 10:56:22.739000,NM,12,8,mp-568607,,Al5Mo,"{'functional': 'PBE', 'labels': ['Al', 'Mo_pv'], 'pot_type': 'paw'}","{'Al': 5.0, 'Mo': 1.0}",GGA,mp-568607,"['mp-929455', 'mp-912722', 'mp-929078', 'mp-568607', 'mp-1421351', 'mp-1702429', 'mp-1829969', 'mp-1602388']",0.00017005,"{'Al': 10.0, 'Mo': 2.0}",185.9534701995613,[],NM,False,182,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.8289521547245764e-06,0.00017005,0,0.0003401,MP,data/source/MP/cleaned/cifs/MP-mp-568607.cif,False,,data/final/MP/graphs/Al5Mo1-MP-mp-568607.json,0,True,622,0,4,0,0,0,0,0,1,0,0,0,1.0,False
Ga0.9Si0.1V3,2,0.0499999999999999,2.0,False,Ga1.8Si0.2V6,Ga2V6,10.6,Other,True,Ga22.5Si2.5V75,Ga-Si-V,3,Supercon,V3Si0.1Ga0.9,MP-mp-22568,V6Ga2,Ga-V,Ga25V75,P m -3 n,cubic,4.789645,4.789645,4.789645,data/final/MP/cifs/Ga0.9Si0.1V3-MP-mp-22568-synth_doped.cif,data/source/MP/raw/cifs/mp-22568.cif,mp-22568,0.0,,2014-02-22 11:36:40,6.726541666276222,10.17188/1198793,"@misc{osti_1198793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686867'}},0.0,5.67452231,520.0,-61.95244347,-7.74405543375,{'tags': ['Gallium vanadium (1/3)']},-61.95244347,-7.74405543375,-0.1741018756249994,"['xas', 'elasticity', 'bandstructure']",True,"[635643, 635628, 635619, 635634, 104021, 635646, 635604, 635610, 635617, 635624, 635626, 635605, 635631, 635625, 635636, 635603, 104020, 635616, 635607]",True,2021-05-12 10:56:16.728000,FM,8,9,mp-22568,,V3Ga,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ga': 1.0}",GGA,mp-22568,"['mp-941343', 'mp-941663', 'mp-934924', 'mp-22568', 'mp-1440749', 'mp-1686867', 'mp-1804076', 'mp-1593784', 'mp-1595713']",0.09063635,"{'V': 6.0, 'Ga': 2.0}",109.87780534443452,[],FM,True,131,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0, -0.0, -0.0]",0.0016497662965852,0.09063635,2,0.1812727,MP,data/source/MP/cleaned/cifs/MP-mp-22568.cif,True,,data/final/MP/graphs/Ga0.9Si0.1V3-MP-mp-22568-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ce2Ir3Si5,1,0.0,2.0,False,Ce4Ir6Si10,Ce4Ir6Si10,0.0,Heavy_fermion,True,Ce20Ir30Si50,Ce-Ir-Si,3,Supercon,Ce2Ir3Si5,MP-mp-1105703,Ce4Si10Ir6,Ce-Ir-Si,Ce20Ir30Si50,I b a m,orthorhombic,5.896439997352046,8.198737940000001,8.198737940348526,data/final/MP/cifs/Ce2Ir3Si5-MP-mp-1105703.cif,data/source/MP/raw/cifs/mp-1105703.cif,mp-1105703,0.0,,2018-07-19 05:44:14,9.698057601410076,,,{'GGA': {'task_id': 'mp-1674848'}},0.0,9.40590623,520.0,-150.81018419,-7.5405092095,"{'tags': ['U2Co3Si5', 'Ce2Ir3Si5', 'Cerium iridium silicide (2/3/5)']}",-150.81018419,-7.5405092095,-0.9542052424999994,['bandstructure'],True,[621432],True,2021-05-12 10:58:22.271000,NM,20,5,mp-1105703,,Ce2Si5Ir3,"{'functional': 'PBE', 'labels': ['Ce', 'Si', 'Ir'], 'pot_type': 'paw'}","{'Ce': 2.0, 'Si': 5.0, 'Ir': 3.0}",GGA,mp-1105703,"['mp-1105703', 'mp-1417577', 'mp-1674848', 'mp-1839782', 'mp-1607220']",0.021681,"{'Ce': 4.0, 'Si': 10.0, 'Ir': 6.0}",341.5267499627121,[],NM,False,72,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001269651645287,0.021681,0,0.043362,MP,data/source/MP/cleaned/cifs/MP-mp-1105703.cif,False,,data/final/MP/graphs/Ce2Ir3Si5-MP-mp-1105703.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,1.0,False
Sn0.965Te1,2,0.0178117048346056,1.0,True,Sn0.965Te1,Sn1Te1,0.168,Other,True,Sn49.109Te50.891,Sn-Te,2,Supercon,Sn0.965Te1,MP-mp-1883,Sn1Te1,Sn-Te,Sn50Te50,F m -3 m,cubic,4.53766968,4.53766968,4.53766968,data/final/MP/cifs/Sn0.965Te1-MP-mp-1883-synth_doped.cif,data/source/MP/raw/cifs/mp-1883.cif,mp-1883,0.6623999999999999,,2011-05-12 18:43:07,6.19081042904143,10.17188/1193534,"@misc{osti_1193534,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SnTe (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1193534"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686906'}},0.0,6.06645058,520.0,-7.72519638,-3.86259819,"{'tags': ['Tin telluride (1/1)', 'Tin telluride']}",-7.72519638,-3.86259819,-0.4971617975000004,"['eos', 'elasticity', 'bandstructure', 'xas']",True,"[52489, 652760, 652744, 652756, 652761, 600865, 652763, 652745, 652742, 604177, 600813, 652741, 601065, 652750, 652755, 652753, 652751, 652749, 652752, 600136, 652754, 652746, 652759]",True,2021-05-12 10:56:14.760000,NM,2,9,mp-1883,,SnTe,"{'functional': 'PBE', 'labels': ['Sn_d', 'Te'], 'pot_type': 'paw'}","{'Sn': 1.0, 'Te': 1.0}",GGA,mp-1883,"['mp-663289', 'mp-655511', 'mp-657302', 'mp-1883', 'mp-1440781', 'mp-1686906', 'mp-1784332', 'mp-1596407', 'mp-1596974']",0.0,"{'Sn': 1.0, 'Te': 1.0}",66.06685541129963,[],NM,False,225,0,"[0, 0]",0.0,0.0,0,0.0,MP,data/source/MP/cleaned/cifs/MP-mp-1883.cif,True,,data/final/MP/graphs/Sn0.965Te1-MP-mp-1883-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Al0.3Nb3Sn0.7,3,0.15,2.0,False,Al0.6Nb6Sn1.4,Nb6Sn2,15.775,Other,True,Al7.5Nb75Sn17.5,Al-Nb-Sn,3,Supercon,Nb3Sn0.7Al0.3,MP-mp-1326,Nb6Sn2,Nb-Sn,Nb75Sn25,P m -3 n,cubic,5.334611,5.334611,5.334611,data/final/MP/cifs/Al0.3Nb3Sn0.7-MP-mp-1326-synth_doped.cif,data/source/MP/raw/cifs/mp-1326.cif,mp-1326,0.0,,2011-05-14 09:51:48,8.694218121896231,10.17188/1189484,"@misc{osti_1189484,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Sn (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189484"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668415'}},0.0,6.59372491,520.0,-69.93787048,-8.74223381,{'tags': ['Niobium tin (3/1)']},-69.93787048,-8.74223381,-0.163862066250001,"['xas', 'elasticity', 'bandstructure']",True,"[105230, 645503, 645489, 105231, 645498, 645485, 645474, 645496, 645480, 645488, 645482, 645487, 645500, 645493, 645477, 645484, 645502, 645483, 150878, 645479, 645481, 645486, 645473]",True,2021-05-12 10:56:12.755000,NM,8,9,mp-1326,,Nb3Sn,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Sn_d'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Sn': 1.0}",GGA,mp-1326,"['mp-930046', 'mp-913770', 'mp-930577', 'mp-1326', 'mp-1440651', 'mp-1668415', 'mp-1880085', 'mp-1594093', 'mp-1594507']",0.62023085,"{'Nb': 6.0, 'Sn': 2.0}",151.81275738025872,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0081709977567491,0.62023085,0,1.2404617,MP,data/source/MP/cleaned/cifs/MP-mp-1326.cif,True,,data/final/MP/graphs/Al0.3Nb3Sn0.7-MP-mp-1326-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B2Mg0.9Ti0.1,3,0.0666666666666666,1.0,True,B2Mg0.9Ti0.1,B2Mg1,38.3,Other,True,B66.667Mg30Ti3.333,B-Mg-Ti,3,Supercon,Mg0.9Ti0.1B2,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B2Mg0.9Ti0.1-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B2Mg0.9Ti0.1-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
H1.96La1,2,0.009009009009009,1.0,True,H1.96La1,H2La1,0.0,Other,True,H66.216La33.784,H-La,2,Supercon,H1.96La1,MP-mp-24153,La1H2,H-La,H66.667La33.333,F m -3 m,cubic,3.99879209,3.99879209,3.99879209,data/final/MP/cifs/H1.96La1-MP-mp-24153-synth_doped.cif,data/source/MP/raw/cifs/mp-24153.cif,mp-24153,0.0,,2014-02-19 04:32:43,5.175525095498188,10.17188/1199945,"@misc{osti_1199945,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaH2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199945"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668518'}},0.0,6.4327572,520.0,-13.59709698,-4.53236566,"{'tags': ['Lanthanum hydride (1/2)', 'Lanthanum deuteride (1/2)', 'Lanthanum dihydride']}",-13.59709698,-4.53236566,-0.7445459283333337,"['xas', 'bandstructure']",True,"[638230, 638234, 638236, 44874, 638237, 638229, 56062, 638227]",True,2021-05-12 10:57:01.079000,NM,3,9,mp-24153,,LaH2,"{'functional': 'PBE', 'labels': ['La', 'H'], 'pot_type': 'paw'}","{'La': 1.0, 'H': 2.0}",GGA,mp-24153,"['mp-1003741', 'mp-1002284', 'mp-24153', 'mp-1442015', 'mp-1668518', 'mp-1781505', 'mp-1009117', 'mp-1589997', 'mp-1589514']",0.000556,"{'La': 1.0, 'H': 2.0}",45.21384838739477,[],NM,False,225,0,"[0, 0, 0]",1.229711736183483e-05,0.000556,0,0.000556,MP,data/source/MP/cleaned/cifs/MP-mp-24153.cif,True,,data/final/MP/graphs/H1.96La1-MP-mp-24153-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
As1Ca1Co0.2F1Fe0.8,3,0.0999999999999999,2.0,False,As2Ca2Co0.4F2Fe1.6,As2Ca2F2Fe2,16.5,Ferrite,True,As25Ca25Co5F25Fe20,As-Ca-Co-F-Fe,5,Supercon,Ca1Fe0.8Co0.2As1F1,MP-mp-1079859,Ca2Fe2As2F2,As-Ca-F-Fe,As25Ca25F25Fe25,P m m n,orthorhombic,3.933336,3.981276,9.018918,data/final/MP/cifs/As1Ca1Co0.2F1Fe0.8-MP-mp-1079859-synth_doped.cif,data/source/MP/raw/cifs/mp-1079859.cif,mp-1079859,0.0,,2018-04-16 14:43:21,4.464120586611354,,,{'GGA+U': {'task_id': 'mp-1695365'}},0.2859614887499973,4.27317878,520.0,-41.71531675,-5.21441459375,"{'tags': ['Calcium iron arsenide fluoride', 'High pressure experimental phase']}",-41.71531675,-5.21441459375,-1.632363168125,['bandstructure'],True,[186505],True,2021-05-12 10:58:16.596000,FM,8,6,mp-1079859,,CaFeAsF,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Fe_pv', 'As', 'F'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Fe': 1.0, 'As': 1.0, 'F': 1.0}",GGA+U,mp-1079859,"['mp-1079859', 'mp-1475687', 'mp-1695365', 'mp-1785040', 'mp-1938652', 'mp-1594699']",3.7150606,"{'Ca': 2.0, 'Fe': 2.0, 'As': 2.0, 'F': 2.0}",141.2335160836522,[],FM,True,59,1,"[0.0, 0.0, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0]",0.0526087674231601,3.7150606,2,7.4301212,MP,data/source/MP/cleaned/cifs/MP-mp-1079859.cif,True,,data/final/MP/graphs/As1Ca1Co0.2F1Fe0.8-MP-mp-1079859-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Be13U1,1,0.0,2.0,False,Be26U2,Be26U2,0.917754545,Heavy_fermion,True,Be92.857U7.143,Be-U,2,Supercon,Be13U1,MP-mp-1163,U2Be26,Be-U,Be92.857U7.143,F m -3 c,cubic,7.174675929999999,7.174675929999999,7.174675929999999,data/final/MP/cifs/Be13U1-MP-mp-1163.cif,data/source/MP/raw/cifs/mp-1163.cif,mp-1163,0.0,,2011-05-15 13:39:09,4.516943134220159,10.17188/1188115,"@misc{osti_1188115,
    author = ""Persson, Kristin"",
    title = ""Materials Data on UBe13 (SG:226) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1188115"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1676276'}},0.0,5.60901004,520.0,-121.44122023,-4.337186436785714,"{'tags': ['Uranium beryllium (1/13)', 'Beryllium uranium (13/1)']}",-121.44122023,-4.337186436785714,-0.0583452042857146,"['xas', 'bandstructure']",True,"[616470, 58748, 616481, 58747, 58749, 659562, 107528, 600563, 58750, 616488, 58751]",True,2021-05-12 10:56:51.169000,NM,28,8,mp-1163,,UBe13,"{'functional': 'PBE', 'labels': ['U', 'Be_sv'], 'pot_type': 'paw'}","{'U': 1.0, 'Be': 13.0}",GGA,mp-1163,"['mp-1163', 'mp-906858', 'mp-920459', 'mp-921486', 'mp-1381018', 'mp-1676276', 'mp-1775695', 'mp-1603627']",0.0460573,"{'U': 2.0, 'Be': 26.0}",261.15110606061,[],NM,False,226,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0003527252914587,0.0460573,0,0.0921146,MP,data/source/MP/cleaned/cifs/MP-mp-1163.cif,False,,data/final/MP/graphs/Be13U1-MP-mp-1163.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Si3Sr2,3,0.1333333333333333,1.0,True,Si3Sr2,Si4Sr2,0.55,Other,True,Si60Sr40,Si-Sr,2,Supercon,Si3Sr2,MP-mp-1727,Sr2Si4,Si-Sr,Si66.667Sr33.333,I 41/a m d,tetragonal,4.437676001403473,4.437676001403473,7.655674089999999,data/final/MP/cifs/Si3Sr2-MP-mp-1727-synth_doped.cif,data/source/MP/raw/cifs/mp-1727.cif,mp-1727,0.0,,2011-05-12 21:45:19,3.472602102241727,10.17188/1192424,"@misc{osti_1192424,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SrSi2 (SG:141) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1192424"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697760'}},0.0,5.17909165,520.0,-27.27432404,-4.545720673333333,"{'tags': ['Strontium silicide (1/2)', 'Strontium silicide (1/2) - HP', 'Strontium silicide (1/2) - beta']}",-27.27432404,-4.545720673333333,-0.318346842222222,"['xas', 'elasticity', 'bandstructure']",True,"[659992, 99238, 37185, 1455, 154436]",True,2021-05-12 10:56:14.760000,NM,6,10,mp-1727,,SrSi2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Si'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Si': 2.0}",GGA,mp-1727,"['mp-919769', 'mp-918777', 'mp-905802', 'mp-1727', 'mp-1125152', 'mp-1146522', 'mp-1441695', 'mp-1697760', 'mp-1778624', 'mp-1588369']",0.0014147,"{'Sr': 2.0, 'Si': 4.0}",137.5168049177549,[],NM,False,141,0,"[0, 0, 0, 0, 0, 0]",2.057493992601259e-05,0.0014147,0,0.0028294,MP,data/source/MP/cleaned/cifs/MP-mp-1727.cif,True,,data/final/MP/graphs/Si3Sr2-MP-mp-1727-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ir3Lu1.96Sc0.04Si5,2,0.008,2.0,False,Ir6Lu3.92Sc0.08Si10,Ir6Lu4Si10,2.8,Other,True,Ir30Lu19.6Sc0.4Si50,Ir-Lu-Sc-Si,4,Supercon,Lu1.96Sc0.04Ir3Si5,MP-mp-568336,Lu4Si10Ir6,Ir-Lu-Si,Ir30Lu20Si50,I b a m,orthorhombic,5.768945997058916,8.10316065,8.103160651054345,data/final/MP/cifs/Ir3Lu1.96Sc0.04Si5-MP-mp-568336-synth_doped.cif,data/source/MP/raw/cifs/mp-568336.cif,mp-568336,0.0,,2014-02-24 19:50:32,10.79445647040026,10.17188/1274373,"@misc{osti_1274373,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Lu2Si5Ir3 (SG:72) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1274373"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1708810'}},0.0,7.95526215,520.0,-144.18930957,-7.2094654785,{'tags': ['Lutetium iridium silicide (2/3/5)']},-144.18930957,-7.2094654785,-0.9055892385,"['xas', 'bandstructure']",True,[153662],True,2021-05-12 10:57:23.123000,NM,20,10,mp-568336,,Lu2Si5Ir3,"{'functional': 'PBE', 'labels': ['Lu_3', 'Si', 'Ir'], 'pot_type': 'paw'}","{'Lu': 2.0, 'Si': 5.0, 'Ir': 3.0}",GGA,mp-568336,"['mp-1001425', 'mp-914666', 'mp-568336', 'mp-1144001', 'mp-1249981', 'mp-1432720', 'mp-1708810', 'mp-1813304', 'mp-1007934', 'mp-1607265']",0.00085745,"{'Lu': 4.0, 'Si': 10.0, 'Ir': 6.0}",328.2825671971667,[],NM,False,72,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.223853385336877e-06,0.00085745,0,0.0017149,MP,data/source/MP/cleaned/cifs/MP-mp-568336.cif,True,,data/final/MP/graphs/Ir3Lu1.96Sc0.04Si5-MP-mp-568336-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,1.0,False
B1Nd1Rh3,1,0.0,1.0,True,B1Nd1Rh3,B1Nd1Rh3,0.0,Other,True,B20Nd20Rh60,B-Nd-Rh,3,Supercon,Nd1Rh3B1,MP-mp-3591,Nd1B1Rh3,B-Nd-Rh,B20Nd20Rh60,P m -3 m,cubic,4.263598,4.263598,4.263598,data/final/MP/cifs/B1Nd1Rh3-MP-mp-3591.cif,data/source/MP/raw/cifs/mp-3591.cif,mp-3591,0.0,,2011-05-13 07:48:48,9.93625049662448,10.17188/1207099,"@misc{osti_1207099,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NdBRh3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207099"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1695020'}},0.0,5.52146623,520.0,-37.02189897,-7.404379794,{'tags': ['Neodymium rhodium boride (1/3/1)']},-37.02189897,-7.404379794,-0.6962880758333341,"['xas', 'elasticity', 'bandstructure']",True,"[44464, 614955]",True,2021-05-12 10:56:20.740000,NM,5,8,mp-3591,,NdBRh3,"{'functional': 'PBE', 'labels': ['Nd_3', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Nd': 1.0, 'B': 1.0, 'Rh': 3.0}",GGA,mp-3591,"['mp-1007260', 'mp-1000810', 'mp-3591', 'mp-1441623', 'mp-1695020', 'mp-1801262', 'mp-1011997', 'mp-1586362']",0.0076928,"{'Nd': 1.0, 'B': 1.0, 'Rh': 3.0}",77.5048266857974,[],NM,False,221,0,"[0, 0, 0, 0, 0]",9.92557538537105e-05,0.0076928,0,0.0076928,MP,data/source/MP/cleaned/cifs/MP-mp-3591.cif,False,,data/final/MP/graphs/B1Nd1Rh3-MP-mp-3591.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
As2Eu0.92Fe2La0.08,2,0.0319999999999999,1.0,True,As2Eu0.92Fe2La0.08,As2Eu1Fe2,0.0,Ferrite,True,As40Eu18.4Fe40La1.6,As-Eu-Fe-La,4,Supercon,Eu0.92La0.08Fe2As2,MP-mp-20890,Eu1Fe2As2,As-Eu-Fe,As40Eu20Fe40,I 4/m m m,tetragonal,3.9736679999368567,3.9736679999368567,6.07120609,data/final/MP/cifs/As2Eu0.92Fe2La0.08-MP-mp-20890-synth_doped.cif,data/source/MP/raw/cifs/mp-20890.cif,mp-20890,0.0,,2014-02-21 09:03:25,8.079887417044961,10.17188/1196086,"@misc{osti_1196086,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Eu(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196086"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687595'}},0.0,5.69045342,520.0,-39.43180547,-7.886361094,"{'tags': ['High pressure experimental phase', 'Europium diiron diarsenide - HP', 'Europium diiron diarsenide', 'Europium iron arsenide (1/2/2)']}",-39.43180547,-7.886361094,-0.5763016570000005,"['xas', 'bandstructure']",True,"[169689, 169687, 185355, 169691, 163211, 185356, 610431, 169690, 169688, 163210]",True,2021-05-12 10:56:57.051000,FM,5,16,mp-20890,,Eu(FeAs)2,"{'functional': 'PBE', 'labels': ['Eu', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Eu': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-20890,"['mp-991161', 'mp-993140', 'mp-20890', 'mp-1069324', 'mp-1069480', 'mp-1069596', 'mp-1069907', 'mp-1070115', 'mp-1069978', 'mp-1442076', 'mp-1687595', 'mp-1782260', 'mp-994461', 'mp-1594012', 'mp-1069557', 'mp-1070074']",6.9579645,"{'Eu': 1.0, 'Fe': 2.0, 'As': 2.0}",84.97992844321493,[],FM,True,139,1,"[6.7, -0.0, -0.0, 0.0, 0.0]",0.0818777401613068,6.9579645,1,6.9579645,MP,data/source/MP/cleaned/cifs/MP-mp-20890.cif,True,,data/final/MP/graphs/As2Eu0.92Fe2La0.08-MP-mp-20890-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu0.99La2Zn0.01O4,2,0.0028571428571428,1.0,True,Cu0.99La2Zn0.01O4,Cu1La2O4,0.0,Cuprate,True,Cu14.143La28.571Zn0.143O57.142857142857146,Cu-La-Zn-O,4,Supercon,La2Cu0.99Zn0.01O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu0.99La2Zn0.01O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu0.99La2Zn0.01O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
As1Fe0.97Ir0.03Sm1O1,2,0.015,2.0,False,As2Fe1.94Ir0.06Sm2O2,As2Fe2Sm2O2,0.0,Ferrite,True,As25Fe24.25Ir0.75Sm25O25,As-Fe-Ir-Sm-O,5,Supercon,Sm1Fe0.97Ir0.03As1O1,MP-mp-20349,Sm2Fe2As2O2,As-Fe-Sm-O,As25Fe25Sm25O25,P 4/n m m,tetragonal,4.026492,4.026492,9.046755,data/final/MP/cifs/As1Fe0.97Ir0.03Sm1O1-MP-mp-20349-synth_doped.cif,data/source/MP/raw/cifs/mp-20349.cif,mp-20349,0.0,,2014-02-19 11:24:42,6.727802583283198,,,{'GGA+U': {'task_id': 'mp-1695938'}},0.3015723809374986,3.77685593,520.0,-52.73407138,-6.5917589225,{'tags': ['Samarium iron arsenic oxide (1/1/1/1)']},-52.73407138,-6.5917589225,-1.6285904237499995,"['xas', 'elasticity', 'bandstructure']",True,"[236652, 236653, 422002, 163457, 163458]",True,2021-05-12 10:56:16.728000,FM,8,10,mp-20349,oxide,SmFeAsO,"{'functional': 'PBE', 'labels': ['Sm_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sm': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-20349,"['mp-24944', 'mp-1078897', 'mp-1079866', 'mp-1173321', 'mp-20349', 'mp-1425472', 'mp-1695938', 'mp-1772503', 'mp-1789694', 'mp-1588381']",3.75729895,"{'Sm': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",146.67176231613362,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, -0.0, -0.0, -0.0, -0.0]",0.0512341147425717,3.75729895,2,7.5145979,MP,data/source/MP/cleaned/cifs/MP-mp-20349.cif,True,,data/final/MP/graphs/As1Fe0.97Ir0.03Sm1O1-MP-mp-20349-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Al1Mo3,1,0.0,2.0,False,Al2Mo6,Al2Mo6,0.58,Other,True,Al25Mo75,Al-Mo,2,Supercon,Al1Mo3,MP-mp-259,Al2Mo6,Al-Mo,Al25Mo75,P m -3 n,cubic,4.979022,4.979022,4.979022,data/final/MP/cifs/Al1Mo3-MP-mp-259.cif,data/source/MP/raw/cifs/mp-259.cif,mp-259,0.0,,2011-05-13 20:50:30,8.470007673129778,10.17188/1201072,"@misc{osti_1201072,
    author = ""Persson, Kristin"",
    title = ""Materials Data on AlMo3 (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201072"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687794'}},0.0,8.39238796,520.0,-74.51784381,-9.31473047625,{'tags': ['Aluminium molybdenum (1/3)']},-74.51784381,-9.31473047625,-0.24410424625,"['xas', 'elasticity', 'bandstructure']",True,"[608585, 57999, 608584]",True,2021-05-12 10:56:18.721000,NM,8,9,mp-259,,AlMo3,"{'functional': 'PBE', 'labels': ['Al', 'Mo_pv'], 'pot_type': 'paw'}","{'Al': 1.0, 'Mo': 3.0}",GGA,mp-259,"['mp-927483', 'mp-911578', 'mp-927942', 'mp-259', 'mp-1261809', 'mp-1300129', 'mp-1687794', 'mp-1803781', 'mp-1587333']",0.00536055,"{'Al': 2.0, 'Mo': 6.0}",123.43324191533549,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",8.685747723740212e-05,0.00536055,0,0.0107211,MP,data/source/MP/cleaned/cifs/MP-mp-259.cif,False,,data/final/MP/graphs/Al1Mo3-MP-mp-259.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Pd2Sn1Tm0.75Y0.25,3,0.125,1.0,True,Pd2Sn1Tm0.75Y0.25,Pd2Sn1Tm1,3.06,Other,True,Pd50Sn25Tm18.75Y6.25,Pd-Sn-Tm-Y,4,Supercon,Pd2Y0.25Tm0.75Sn1,MP-mp-3942,Tm1Sn1Pd2,Pd-Sn-Tm,Pd50Sn25Tm25,F m -3 m,cubic,4.77064298,4.770642979999999,4.770642979999999,data/final/MP/cifs/Pd2Sn1Tm0.75Y0.25-MP-mp-3942-synth_doped.cif,data/source/MP/raw/cifs/mp-3942.cif,mp-3942,0.0,,2011-05-13 00:00:19,10.8248958527586,10.17188/1207657,"@misc{osti_1207657,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TmSnPd2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207657"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672030'}},0.0,6.40535208,520.0,-22.43391885,-5.6084797125,{'tags': ['Palladium tin thulium (2/1/1)']},-22.43391885,-5.6084797125,-0.8971869879166663,"['xas', 'bandstructure']",True,"[105696, 105695, 648940, 648942]",True,2021-05-12 10:57:08.928000,NM,4,8,mp-3942,,TmSnPd2,"{'functional': 'PBE', 'labels': ['Tm_3', 'Sn_d', 'Pd'], 'pot_type': 'paw'}","{'Tm': 1.0, 'Sn': 1.0, 'Pd': 2.0}",GGA,mp-3942,"['mp-993716', 'mp-991983', 'mp-3942', 'mp-1439481', 'mp-1672030', 'mp-1930727', 'mp-995008', 'mp-1589135']",0.000151,"{'Tm': 1.0, 'Sn': 1.0, 'Pd': 2.0}",76.77427979222992,[],NM,False,225,0,"[0, 0, 0, 0]",1.96680451329069e-06,0.000151,0,0.000151,MP,data/source/MP/cleaned/cifs/MP-mp-3942.cif,True,,data/final/MP/graphs/Pd2Sn1Tm0.75Y0.25-MP-mp-3942-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Fe1S0.1Te0.9,3,0.0999999999999999,2.0,False,Fe2S0.2Te1.8,Fe2Te2,10.0,Ferrite,True,Fe50S5Te45,Fe-S-Te,3,Supercon,Fe1Te0.9S0.1,MP-mp-21273,Fe2Te2,Fe-Te,Fe50Te50,P 4/n m m,tetragonal,3.65601,3.65601,6.514508,data/final/MP/cifs/Fe1S0.1Te0.9-MP-mp-21273-synth_doped.cif,data/source/MP/raw/cifs/mp-21273.cif,mp-21273,0.0,,2015-11-26 15:42:53,6.996625048410066,10.17188/1196541,"@misc{osti_1196541,
    author = ""Persson, Kristin"",
    title = ""Materials Data on FeTe (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196541"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687548'}},0.0764545287500002,6.29104431,520.0,-23.46280856,-5.86570214,"{'tags': ['Iron telluride', 'Iron telluride - beta', 'Iron telluride (1/1)']}",-23.46280856,-5.86570214,-0.2700474499999998,"['xas', 'elasticity', 'bandstructure']",True,"[44753, 633877, 180602, 169974]",True,2021-05-12 10:56:16.728000,FM,4,9,mp-21273,,FeTe,"{'functional': 'PBE', 'labels': ['Fe_pv', 'Te'], 'pot_type': 'paw'}","{'Fe': 1.0, 'Te': 1.0}",GGA,mp-21273,"['mp-991220', 'mp-987578', 'mp-992375', 'mp-21273', 'mp-1439792', 'mp-1687548', 'mp-1800961', 'mp-993959', 'mp-1596778']",1.99364605,"{'Fe': 2.0, 'Te': 2.0}",87.07557914416442,[],FM,True,129,1,"[2.0, 2.0, 0.0, 0.0]",0.0457911637130606,1.99364605,2,3.9872921,MP,data/source/MP/cleaned/cifs/MP-mp-21273.cif,True,,data/final/MP/graphs/Fe1S0.1Te0.9-MP-mp-21273-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As1Co0.021Fe0.979Na1,2,0.014,2.0,False,As2Co0.042Fe1.958Na2,As2Fe2Na2,19.4,Ferrite,True,As33.333Co0.7Fe32.633Na33.333,As-Co-Fe-Na,4,Supercon,Na1Fe0.979Co0.021As1,MP-mp-22152,Na2Fe2As2,As-Fe-Na,As33.333Fe33.333Na33.333,P 4/n m m,tetragonal,3.923688,3.923688,6.918844,data/final/MP/cifs/As1Co0.021Fe0.979Na1-MP-mp-22152-synth_doped.cif,data/source/MP/raw/cifs/mp-22152.cif,mp-22152,0.0,,2014-02-21 10:51:39,4.793908463406792,10.17188/1197381,"@misc{osti_1197381,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NaFeAs (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197381"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704688'}},0.0,4.10723066,520.0,-30.57538864,-5.095898106666667,{'tags': ['Sodium iron arsenide']},-30.57538864,-5.095898106666667,-0.2786807238505749,"['xas', 'elasticity', 'bandstructure']",True,"[163144, 163143]",True,2021-05-12 10:56:16.728000,FM,6,8,mp-22152,,NaFeAs,"{'functional': 'PBE', 'labels': ['Na_pv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Na': 1.0, 'Fe': 1.0, 'As': 1.0}",GGA,mp-22152,"['mp-906352', 'mp-920130', 'mp-919102', 'mp-22152', 'mp-1413190', 'mp-1704688', 'mp-1797758', 'mp-1594769']",0.0693226,"{'Na': 2.0, 'Fe': 2.0, 'As': 2.0}",106.5178694490858,[],FM,True,129,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0]",0.0013016144682303,0.0693226,2,0.1386452,MP,data/source/MP/cleaned/cifs/MP-mp-22152.cif,True,,data/final/MP/graphs/As1Co0.021Fe0.979Na1-MP-mp-22152-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ce3Ru4Sn13,1,0.0,2.0,False,Ce6Ru8Sn26,Ce6Ru8Sn26,0.0,Heavy_fermion,True,Ce15Ru20Sn65,Ce-Ru-Sn,3,Supercon,Ce3Ru4Sn13,MP-mp-1198582,Ce6Sn26Ru8,Ce-Ru-Sn,Ce15Ru20Sn65,P m -3 n,cubic,9.790407,9.790407,9.790407,data/final/MP/cifs/Ce3Ru4Sn13-MP-mp-1198582.cif,data/source/MP/raw/cifs/mp-1198582.cif,mp-1198582,0.0,,2019-01-12 03:20:21.789000,8.379777903508067,,,{'GGA': {'task_id': 'mp-1679001'}},0.0174628100714313,8.22889649,520.0,-230.7001243,-5.7675031075,"{'tags': ['Cerium ruthenium stannide (3/4/13)', 'Yb3Rh4Sn13', 'Ce3Ru4Sn13']}",-230.7001243,-5.7675031075,-0.4164400974999999,[],False,"[190478, 423135, 190479]",True,2021-05-12 11:00:03.538000,FM,40,5,mp-1198582,,Ce3Sn13Ru4,"{'functional': 'PBE', 'labels': ['Ce', 'Sn_d', 'Ru_pv'], 'pot_type': 'paw'}","{'Ce': 3.0, 'Sn': 13.0, 'Ru': 4.0}",GGA,mp-1198582,"['mp-1198582', 'mp-1203940', 'mp-1204756', 'mp-1374894', 'mp-1679001']",0.21409555,"{'Ce': 6.0, 'Sn': 26.0, 'Ru': 8.0}",938.4307695112786,[],FM,True,131,1,"[0.4, 0.6, 0.4, 0.4, 0.6, 0.4, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0004562841649182,0.21409555,6,0.4281911,MP,data/source/MP/cleaned/cifs/MP-mp-1198582.cif,False,,data/final/MP/graphs/Ce3Ru4Sn13-MP-mp-1198582.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
S1.2Se0.8Ta1,3,0.1333333333333333,1.0,True,S1.2Se0.8Ta1,S1Se1Ta1,3.8,Chevrel,True,S40Se26.667Ta33.333,S-Se-Ta,3,Supercon,S1.2Se0.8Ta1,MP-mp-1217890,Ta1Se1S1,S-Se-Ta,S33.333Se33.333Ta33.333,P 3 m 1,trigonal,3.4333280014504988,3.43332777,6.39995,data/final/MP/cifs/S1.2Se0.8Ta1-MP-mp-1217890-synth_doped.cif,data/source/MP/raw/cifs/mp-1217890.cif,mp-1217890,0.0,,2019-01-12 19:09:04.956000,7.420853309436702,,,{'GGA': {'task_id': 'mp-1712748'}},0.0335588799999992,4.5864584,520.0,-22.18986267,-7.39662089,{'tags': []},-22.18986267,-7.39662089,-1.2249078984895845,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,3,5,mp-1217890,,TaSeS,"{'functional': 'PBE', 'labels': ['Ta_pv', 'Se', 'S'], 'pot_type': 'paw'}","{'Ta': 1.0, 'Se': 1.0, 'S': 1.0}",GGA,mp-1217890,"['mp-1217890', 'mp-1426851', 'mp-1712748', 'mp-1784093', 'mp-1610869']",0.0149374,"{'Ta': 1.0, 'Se': 1.0, 'S': 1.0}",65.333776778902,[],NM,False,156,0,"[0, 0, 0]",0.0002286321216443,0.0149374,0,0.0149374,MP,data/source/MP/cleaned/cifs/MP-mp-1217890.cif,True,,data/final/MP/graphs/S1.2Se0.8Ta1-MP-mp-1217890-synth_doped.json,0,True,3m,0,0,0,0,0,0,5,1,0,0,0,1.0,False
Be17Nb2,1,0.0,1.0,True,Be17Nb2,Be17Nb2,1.47,Other,True,Be89.474Nb10.526,Be-Nb,2,Supercon,Be17Nb2,MP-mp-30441,Be17Nb2,Be-Nb,Be89.474Nb10.526,R -3 m,trigonal,5.561949650000001,5.561949650000001,5.56194934,data/final/MP/cifs/Be17Nb2-MP-mp-30441.cif,data/source/MP/raw/cifs/mp-30441.cif,mp-30441,0.0,,2014-02-24 01:57:25,3.338361624671468,10.17188/1204849,"@misc{osti_1204849,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Be17Nb2 (SG:166) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204849"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672409'}},0.0,4.58102057,520.0,-87.53082193,-4.606885364736843,{'tags': ['Beryllium niobium (17/2)']},-87.53082193,-4.606885364736843,-0.1977996392105266,"['xas', 'elasticity', 'bandstructure']",True,[58724],True,2021-05-12 10:56:18.721000,NM,19,8,mp-30441,,Be17Nb2,"{'functional': 'PBE', 'labels': ['Be_sv', 'Nb_pv'], 'pot_type': 'paw'}","{'Be': 17.0, 'Nb': 2.0}",GGA,mp-30441,"['mp-934563', 'mp-941078', 'mp-941387', 'mp-30441', 'mp-1425394', 'mp-1672409', 'mp-1835095', 'mp-1598651']",6.06e-05,"{'Be': 17.0, 'Nb': 2.0}",168.632333824958,[],NM,False,166,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.593616872011235e-07,6.06e-05,0,6.06e-05,MP,data/source/MP/cleaned/cifs/MP-mp-30441.cif,False,,data/final/MP/graphs/Be17Nb2-MP-mp-30441.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Cr3Ir1,1,0.0,2.0,False,Cr6Ir2,Cr6Ir2,0.256,Other,True,Cr75Ir25,Cr-Ir,2,Supercon,Cr3Ir1,MP-mp-1609,Cr6Ir2,Cr-Ir,Cr75Ir25,P m -3 n,cubic,4.649853,4.649853,4.649853,data/final/MP/cifs/Cr3Ir1-MP-mp-1609.cif,data/source/MP/raw/cifs/mp-1609.cif,mp-1609,0.0,,2011-05-14 06:37:35,11.502620729111474,10.17188/1191557,"@misc{osti_1191557,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Cr3Ir (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191557"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700096'}},0.0183214725000002,7.78335882,520.0,-76.09006936,-9.51125867,{'tags': ['Chromium iridium (3/1)']},-76.09006936,-9.51125867,-0.0618654625000001,"['xas', 'elasticity', 'bandstructure']",True,"[102780, 102779]",True,2021-05-12 10:56:12.755000,NM,8,8,mp-1609,,Cr3Ir,"{'functional': 'PBE', 'labels': ['Cr_pv', 'Ir'], 'pot_type': 'paw'}","{'Cr': 3.0, 'Ir': 1.0}",GGA,mp-1609,"['mp-912358', 'mp-928869', 'mp-928340', 'mp-1609', 'mp-1414364', 'mp-1700096', 'mp-1797142', 'mp-1590447']",0.005854,"{'Cr': 6.0, 'Ir': 2.0}",100.5350897789424,[],NM,False,223,0,"[-0.0, -0.0, -0.0, -0.0, -0.0, -0.0, 0.0, 0.0]",0.0001164568512918,0.005854,0,0.011708,MP,data/source/MP/cleaned/cifs/MP-mp-1609.cif,False,,data/final/MP/graphs/Cr3Ir1-MP-mp-1609.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ir5La1,1,0.0,1.0,True,Ir5La1,Ir5La1,2.13,Other,True,Ir83.333La16.667,Ir-La,2,Supercon,Ir5La1,MP-mp-1384,La1Ir5,Ir-La,Ir83.333La16.667,P 6/m m m,hexagonal,4.330987,5.390740004223297,5.39074019,data/final/MP/cifs/Ir5La1-MP-mp-1384.cif,data/source/MP/raw/cifs/mp-1384.cif,mp-1384,0.0,,2011-05-13 06:12:24,16.758059047546517,10.17188/1189773,"@misc{osti_1189773,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaIr5 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189773"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1695032'}},0.0647668516666666,8.49794787,520.0,-50.95448788,-8.492414646666667,{'tags': ['Iridium lanthanum (5/1)']},-50.95448788,-8.492414646666667,-0.3043881124999998,"['xas', 'bandstructure']",True,"[640740, 104486, 104485]",True,2021-05-12 10:56:53.126000,NM,6,12,mp-1384,,LaIr5,"{'functional': 'PBE', 'labels': ['La', 'Ir'], 'pot_type': 'paw'}","{'La': 1.0, 'Ir': 5.0}",GGA,mp-1384,"['mp-935040', 'mp-941724', 'mp-941871', 'mp-1384', 'mp-1071296', 'mp-1071333', 'mp-1071366', 'mp-1441778', 'mp-1695032', 'mp-1803180', 'mp-1587185', 'mp-1071368']",0.0002677,"{'La': 1.0, 'Ir': 5.0}",108.99693951073152,[],NM,False,191,0,"[0, 0, 0, 0, 0, 0]",2.4560322629393005e-06,0.0002677,0,0.0002677,MP,data/source/MP/cleaned/cifs/MP-mp-1384.cif,False,,data/final/MP/graphs/Ir5La1-MP-mp-1384.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
B4Er0.98Gd0.02Rh4,2,0.0044444444444444,2.0,False,B8Er1.96Gd0.04Rh8,B8Er2Rh8,8.22,Other,True,B44.444Er10.889Gd0.222Rh44.444,B-Er-Gd-Rh,4,Supercon,Er0.98Gd0.02Rh4B4,MP-mp-8408,Er2B8Rh8,B-Er-Rh,B44.444Er11.111Rh44.444,P 42/n m c,tetragonal,5.336304,5.336304,7.44528,data/final/MP/cifs/B4Er0.98Gd0.02Rh4-MP-mp-8408-synth_doped.cif,data/source/MP/raw/cifs/mp-8408.cif,mp-8408,0.0,,2011-06-07 02:27:50,9.745285939793032,10.17188/1308086,"@misc{osti_1308086,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Er(BRh)4 (SG:137) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1308086"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1673724'}},0.0133402750000009,6.84272912,520.0,-131.92031901,-7.328906611666666,{'tags': ['Erbium rhodium boride (1/4/4)']},-131.92031901,-7.328906611666666,-0.5797380146296286,"['xas', 'bandstructure']",True,"[613809, 601530, 49631]",True,2021-05-12 10:57:51.871000,NM,18,8,mp-8408,,Er(BRh)4,"{'functional': 'PBE', 'labels': ['Er_3', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Er': 1.0, 'B': 4.0, 'Rh': 4.0}",GGA,mp-8408,"['mp-932384', 'mp-931412', 'mp-8408', 'mp-915879', 'mp-1434188', 'mp-1673724', 'mp-1785064', 'mp-1597242']",7.985e-05,"{'Er': 2.0, 'B': 8.0, 'Rh': 8.0}",212.01283845150363,[],NM,False,137,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",7.532562705467018e-07,7.985e-05,0,0.0001597,MP,data/source/MP/cleaned/cifs/MP-mp-8408.cif,True,,data/final/MP/graphs/B4Er0.98Gd0.02Rh4-MP-mp-8408-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
B0.75Ca1Pd3,3,0.0842105263157895,1.0,True,B0.75Ca1Pd3,B1Ca1Pd3,0.0,Other,True,B15.789Ca21.053Pd63.158,B-Ca-Pd,3,Supercon,Ca1B0.75Pd3,MP-mp-1206909,Ca1B1Pd3,B-Ca-Pd,B20Ca20Pd60,P m -3 m,cubic,4.309953,4.309953,4.309953,data/final/MP/cifs/B0.75Ca1Pd3-MP-mp-1206909-synth_doped.cif,data/source/MP/raw/cifs/mp-1206909.cif,mp-1206909,0.0,,2019-01-12 10:07:30.393000,7.67729228775239,,,{'GGA': {'task_id': 'mp-1757627'}},0.0,4.76200852,520.0,-27.02609129,-5.405218258,"{'tags': ['CaTiO3', 'perovskite', 'CaPd3B hyp']}",-27.02609129,-5.405218258,-0.5602908418333336,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,NM,5,5,mp-1206909,,CaBPd3,"{'functional': 'PBE', 'labels': ['Ca_sv', 'B', 'Pd'], 'pot_type': 'paw'}","{'Ca': 1.0, 'B': 1.0, 'Pd': 3.0}",GGA,mp-1206909,"['mp-1206909', 'mp-1429838', 'mp-1757627', 'mp-1799541', 'mp-1638189']",0.0020003,"{'Ca': 1.0, 'B': 1.0, 'Pd': 3.0}",80.06037179846227,[],NM,False,221,0,"[0, 0, 0, 0, 0]",2.4984895211770924e-05,0.0020003,0,0.0020003,MP,data/source/MP/cleaned/cifs/MP-mp-1206909.cif,True,,data/final/MP/graphs/B0.75Ca1Pd3-MP-mp-1206909-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B2Gd1Ru3,1,0.0,1.0,True,B2Gd1Ru3,B2Gd1Ru3,0.0,Other,True,B33.333Gd16.667Ru50,B-Gd-Ru,3,Supercon,Gd1Ru3B2,MP-mp-22335,Gd1B2Ru3,B-Gd-Ru,B33.333Gd16.667Ru50,P 6/m m m,hexagonal,3.032661,5.530917998030916,5.53091757,data/final/MP/cifs/B2Gd1Ru3-MP-mp-22335.cif,data/source/MP/raw/cifs/mp-22335.cif,mp-22335,0.0,,2014-02-21 12:08:10,9.963710968065906,10.17188/1197567,"@misc{osti_1197567,
    author = ""Persson, Kristin"",
    title = ""Materials Data on GdB2Ru3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197567"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704021'}},0.0,5.97028811,520.0,-58.01698181,-9.669496968333332,{'tags': ['Gadolinium ruthenium boride (1/3/2)']},-58.01698181,-9.669496968333332,-0.4598178438888887,"['xas', 'bandstructure']",True,"[44312, 614389]",True,2021-05-12 10:56:59.077000,FiM,6,6,mp-22335,,GdB2Ru3,"{'functional': 'PBE', 'labels': ['Gd', 'B', 'Ru_pv'], 'pot_type': 'paw'}","{'Gd': 1.0, 'B': 2.0, 'Ru': 3.0}",GGA,mp-22335,"['mp-22335', 'mp-1440515', 'mp-1704021', 'mp-1768787', 'mp-1783762', 'mp-1590093']",6.7796361,"{'Gd': 1.0, 'B': 2.0, 'Ru': 3.0}",80.34315696936082,[],FiM,True,191,2,"[7.0, -0.0, -0.0, -0.1, -0.1, -0.1]",0.0843834914600809,6.7796361,4,6.7796361,MP,data/source/MP/cleaned/cifs/MP-mp-22335.cif,False,,data/final/MP/graphs/B2Gd1Ru3-MP-mp-22335.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As1C1Nb2,1,0.0,2.0,False,As2C2Nb4,As2C2Nb4,2.0,Other,True,As25C25Nb50,As-C-Nb,3,Supercon,Nb2As1C1,MP-mp-9989,Nb4As2C2,As-C-Nb,As25C25Nb50,P 63/m m c,hexagonal,3.342903999017709,3.34290505,12.067054,data/final/MP/cifs/As1C1Nb2-MP-mp-9989.cif,data/source/MP/raw/cifs/mp-9989.cif,mp-9989,0.0,,2011-05-28 11:22:43,7.756326936242729,10.17188/1317415,"@misc{osti_1317415,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb2AsC (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1317415"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688404'}},0.0,6.95055605,520.0,-73.13167579,-9.14145947375,"{'tags': ['Niobium arsenide carbide (2/1/1)', 'Niobium arsenide carbide (1/1/1)']}",-73.13167579,-9.14145947375,-0.6193321775000005,"['xas', 'elasticity', 'bandstructure']",True,"[43011, 180617]",True,2021-05-12 10:56:37.246000,NM,8,8,mp-9989,,Nb2AsC,"{'functional': 'PBE', 'labels': ['Nb_pv', 'As', 'C'], 'pot_type': 'paw'}","{'Nb': 2.0, 'As': 1.0, 'C': 1.0}",GGA,mp-9989,"['mp-925436', 'mp-9989', 'mp-909906', 'mp-925876', 'mp-1301104', 'mp-1688404', 'mp-1805274', 'mp-1590255']",0.0005264,"{'Nb': 4.0, 'As': 2.0, 'C': 2.0}",116.7830678296688,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",9.01500551034964e-06,0.0005264,0,0.0010528,MP,data/source/MP/cleaned/cifs/MP-mp-9989.cif,False,,data/final/MP/graphs/As1C1Nb2-MP-mp-9989.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Pt3V1,1,0.0,1.0,True,Pt3V1,Pt3V1,0.254,Other,True,Pt75V25,Pt-V,2,Supercon,Pt3V1,MP-mp-2705,V1Pt3,Pt-V,Pt75V25,I 4/m m m,tetragonal,3.892513997241677,3.892513997241677,4.830179630000001,data/final/MP/cifs/Pt3V1-MP-mp-2705.cif,data/source/MP/raw/cifs/mp-2705.cif,mp-2705,0.0,,2011-05-12 23:31:37,17.56594321904745,10.17188/1201300,"@misc{osti_1201300,
    author = ""Persson, Kristin"",
    title = ""Materials Data on VPt3 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201300"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1008085'}},0.0,7.40441044,520.0,-29.0711123,-7.267778075,{'tags': ['Platinum vanadium (3/1)']},-29.0711123,-7.267778075,-0.4436207750000003,"['xas', 'elasticity', 'bandstructure']",True,"[105840, 659970]",True,2021-05-12 10:56:18.721000,NM,4,8,mp-2705,,VPt3,"{'functional': 'PBE', 'labels': ['V_pv', 'Pt'], 'pot_type': 'paw'}","{'V': 1.0, 'Pt': 3.0}",GGA,mp-2705,"['mp-1001661', 'mp-1008085', 'mp-2705', 'mp-1438517', 'mp-1677581', 'mp-1794328', 'mp-1012401', 'mp-1586148']",0.0018624,"{'V': 1.0, 'Pt': 3.0}",60.14047452467364,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0]",3.096749759159148e-05,0.0018624,0,0.0018624,MP,data/source/MP/cleaned/cifs/MP-mp-2705.cif,False,,data/final/MP/graphs/Pt3V1-MP-mp-2705.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Nb3Pt0.05Rh0.95,2,0.025,2.0,False,Nb6Pt0.1Rh1.9,Nb6Rh2,2.53,Other,True,Nb75Pt1.25Rh23.75,Nb-Pt-Rh,3,Supercon,Nb3Rh0.95Pt0.05,MP-mp-1545,Nb6Rh2,Nb-Rh,Nb75Rh25,P m -3 n,cubic,5.186072,5.186072,5.186072,data/final/MP/cifs/Nb3Pt0.05Rh0.95-MP-mp-1545-synth_doped.cif,data/source/MP/raw/cifs/mp-1545.cif,mp-1545,0.0,,2011-05-14 11:20:25,9.086567873234834,10.17188/1191190,"@misc{osti_1191190,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Rh (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191190"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700041'}},0.0,5.48706495,520.0,-77.37430008,-9.67178751,{'tags': ['Niobium rhodium (3/1)']},-77.37430008,-9.67178751,-0.2547317625000005,"['xas', 'elasticity', 'bandstructure']",True,"[105216, 645269]",True,2021-05-12 10:56:12.755000,NM,8,8,mp-1545,,Nb3Rh,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Rh_pv'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Rh': 1.0}",GGA,mp-1545,"['mp-942004', 'mp-943019', 'mp-935201', 'mp-1545', 'mp-1433570', 'mp-1700041', 'mp-1786474', 'mp-1591392']",0.00021655,"{'Nb': 6.0, 'Rh': 2.0}",139.48118416938905,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",3.1050783127424102e-06,0.00021655,0,0.0004331,MP,data/source/MP/cleaned/cifs/MP-mp-1545.cif,True,,data/final/MP/graphs/Nb3Pt0.05Rh0.95-MP-mp-1545-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cu1Gd2O4,1,0.0,2.0,False,Cu2Gd4O8,Cu2Gd4O8,0.0,Cuprate,True,Cu14.286Gd28.571O57.142857142857146,Cu-Gd-O,3,Supercon,Gd2Cu1O4,MP-mp-676060,Gd4Cu2O8,Cu-Gd-O,Cu14.286Gd28.571O57.142857142857146,P 1 21/c 1,monoclinic,5.519437,5.523854,6.55743089,data/final/MP/cifs/Cu1Gd2O4-MP-mp-676060.cif,data/source/MP/raw/cifs/mp-676060.cif,mp-676060,0.0,,2013-11-12 10:16:06,8.010608105035294,10.17188/1282923,"@misc{osti_1282923,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Gd2CuO4 (SG:14) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1282923"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1737410'}},0.0288958435714299,3.06952935,520.0,-141.01354869,-10.072396335,{'tags': []},-141.01354869,-10.072396335,-3.030211310714286,"['xas', 'bandstructure']",True,[],True,2021-05-12 10:57:34.594000,FM,14,7,mp-676060,oxide,Gd2CuO4,"{'functional': 'PBE', 'labels': ['Gd', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Gd': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-676060,"['mp-948100', 'mp-948292', 'mp-676060', 'mp-937756', 'mp-1400979', 'mp-1737410', 'mp-1831011']",13.9831661,"{'Gd': 4.0, 'Cu': 2.0, 'O': 8.0}",183.26465539591385,[],FM,True,14,1,"[6.9, 6.9, 6.9, 6.9, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.1526007954975455,13.9831661,4,27.9663322,MP,data/source/MP/cleaned/cifs/MP-mp-676060.cif,False,,data/final/MP/graphs/Cu1Gd2O4-MP-mp-676060.json,0,True,2/m,0,0,3,0,0,0,0,1,0,0,0,1.0,False
Ga0.937In0.063V3,2,0.0314999999999999,2.0,False,Ga1.874In0.126V6,Ga2V6,11.5,Other,True,Ga23.425In1.575V75,Ga-In-V,3,Supercon,V3Ga0.937In0.063,MP-mp-22568,V6Ga2,Ga-V,Ga25V75,P m -3 n,cubic,4.789645,4.789645,4.789645,data/final/MP/cifs/Ga0.937In0.063V3-MP-mp-22568-synth_doped.cif,data/source/MP/raw/cifs/mp-22568.cif,mp-22568,0.0,,2014-02-22 11:36:40,6.726541666276222,10.17188/1198793,"@misc{osti_1198793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686867'}},0.0,5.67452231,520.0,-61.95244347,-7.74405543375,{'tags': ['Gallium vanadium (1/3)']},-61.95244347,-7.74405543375,-0.1741018756249994,"['xas', 'elasticity', 'bandstructure']",True,"[635643, 635628, 635619, 635634, 104021, 635646, 635604, 635610, 635617, 635624, 635626, 635605, 635631, 635625, 635636, 635603, 104020, 635616, 635607]",True,2021-05-12 10:56:16.728000,FM,8,9,mp-22568,,V3Ga,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ga': 1.0}",GGA,mp-22568,"['mp-941343', 'mp-941663', 'mp-934924', 'mp-22568', 'mp-1440749', 'mp-1686867', 'mp-1804076', 'mp-1593784', 'mp-1595713']",0.09063635,"{'V': 6.0, 'Ga': 2.0}",109.87780534443452,[],FM,True,131,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0, -0.0, -0.0]",0.0016497662965852,0.09063635,2,0.1812727,MP,data/source/MP/cleaned/cifs/MP-mp-22568.cif,True,,data/final/MP/graphs/Ga0.937In0.063V3-MP-mp-22568-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B2C1La0.02Lu0.98Ni2,2,0.0066666666666666,1.0,True,B2C1La0.02Lu0.98Ni2,B2C1Lu1Ni2,16.2,Other,True,B33.333C16.667La0.333Lu16.333Ni33.333,B-C-La-Lu-Ni,5,Supercon,Lu0.98La0.02Ni2B2C1,MP-mp-6544,Lu1Ni2B2C1,B-C-Lu-Ni,B33.333C16.667Lu16.667Ni33.333,I 4/m m m,tetragonal,3.4660159989239463,3.4660159989239463,5.81490896,data/final/MP/cifs/B2C1La0.02Lu0.98Ni2-MP-mp-6544-synth_doped.cif,data/source/MP/raw/cifs/mp-6544.cif,mp-6544,0.0,,2011-05-13 04:17:06,8.54504130524706,10.17188/1281287,"@misc{osti_1281287,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LuNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281287"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702891'}},0.0,6.71335166,520.0,-41.78223818,-6.963706363333333,{'tags': []},-41.78223818,-6.963706363333333,-0.5192416763888884,"['xas', 'bandstructure']",True,"[75609, 83230, 79564]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6544,,LuNi2B2C,"{'functional': 'PBE', 'labels': ['Lu_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6544,"['mp-1000584', 'mp-1007055', 'mp-6544', 'mp-1441469', 'mp-1702891', 'mp-1783160', 'mp-1011794', 'mp-1588498']",0.0023161,"{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",63.34823894903922,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",3.656139520884231e-05,0.0023161,0,0.0023161,MP,data/source/MP/cleaned/cifs/MP-mp-6544.cif,True,,data/final/MP/graphs/B2C1La0.02Lu0.98Ni2-MP-mp-6544-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Co0.7Ni0.3Zr2,3,0.1333333333333333,2.0,False,Co1.4Ni0.6Zr4,Co1Ni1Zr4,5.14,Other,True,Co23.333Ni10Zr66.667,Co-Ni-Zr,3,Supercon,Zr2Co0.7Ni0.3,MP-mp-1215379,Zr4Co1Ni1,Co-Ni-Zr,Co16.667Ni16.667Zr66.667,I 4 2 2,tetragonal,5.30408692094024,5.30408692,5.30408692,data/final/MP/cifs/Co0.7Ni0.3Zr2-MP-mp-1215379-synth_doped.cif,data/source/MP/raw/cifs/mp-1215379.cif,mp-1215379,0.0,,2019-01-12 17:04:40.863000,7.126495060084947,,,{'GGA': {'task_id': 'mp-1759199'}},0.0060319050000003,4.68660376,520.0,-48.79738245,-8.132897075,{'tags': []},-48.79738245,-8.132897075,-0.286354242500001,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,NM,6,5,mp-1215379,,Zr4CoNi,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Co', 'Ni_pv'], 'pot_type': 'paw'}","{'Zr': 4.0, 'Co': 1.0, 'Ni': 1.0}",GGA,mp-1215379,"['mp-1215379', 'mp-1385448', 'mp-1759199', 'mp-1802552', 'mp-1624939']",0.0012606,"{'Zr': 4.0, 'Co': 1.0, 'Ni': 1.0}",112.4322142594959,[],NM,False,97,0,"[0.0, 0.0, 0.0, 0.0, -0.0, 0.0]",1.1212089064531888e-05,0.0012606,0,0.0012606,MP,data/source/MP/cleaned/cifs/MP-mp-1215379.cif,True,,data/final/MP/graphs/Co0.7Ni0.3Zr2-MP-mp-1215379-synth_doped.json,0,True,422,0,0,0,0,4,0,0,0,0,1,0,1.0,False
B12Yb0.01Zr0.99,2,0.0015384615384615,1.0,True,B12Yb0.01Zr0.99,B12Zr1,4.4,Other,True,B92.308Yb0.077Zr7.615,B-Yb-Zr,3,Supercon,B12Yb0.01Zr0.99,MP-mp-1084,Zr1B12,B-Zr,B92.308Zr7.692,F m -3 m,cubic,5.23882121,5.23882121,5.23882121,data/final/MP/cifs/B12Yb0.01Zr0.99-MP-mp-1084-synth_doped.cif,data/source/MP/raw/cifs/mp-1084.cif,mp-1084,0.0,,2011-05-13 01:55:40,3.608852766615364,10.17188/1187388,"@misc{osti_1187388,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrB12 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187388"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701270'}},0.0158721137179496,6.88737846,520.0,-91.45613101,-7.03508700076923,{'tags': ['Zirconium boride (1/12)']},-91.45613101,-7.03508700076923,-0.2119791638461532,"['xas', 'elasticity', 'bandstructure']",True,"[615764, 615752, 35363, 23861, 409634, 76257, 409635]",True,2021-05-12 10:56:10.715000,NM,13,8,mp-1084,,ZrB12,"{'functional': 'PBE', 'labels': ['Zr_sv', 'B'], 'pot_type': 'paw'}","{'Zr': 1.0, 'B': 12.0}",GGA,mp-1084,"['mp-922210', 'mp-1084', 'mp-907581', 'mp-921959', 'mp-1427051', 'mp-1701270', 'mp-1798000', 'mp-1593176']",1.76e-05,"{'Zr': 1.0, 'B': 12.0}",101.66833997602512,[],NM,False,225,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.7311190488750325e-07,1.76e-05,0,1.76e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1084.cif,True,,data/final/MP/graphs/B12Yb0.01Zr0.99-MP-mp-1084-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
La1Pt2,1,0.0,2.0,False,La2Pt4,La2Pt4,0.23,Other,True,La33.333Pt66.667,La-Pt,2,Supercon,La1Pt2,MP-mp-912,La2Pt4,La-Pt,La33.333Pt66.667,F d -3 m,cubic,5.56329271,5.56329271,5.56329271,data/final/MP/cifs/La1Pt2-MP-mp-912.cif,data/source/MP/raw/cifs/mp-912.cif,mp-912,0.0,,2011-05-13 09:34:39,14.431595371680295,10.17188/1312990,"@misc{osti_1312990,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaPt2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1312990"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696947'}},0.0,8.92501839,520.0,-40.61300026,-6.768833376666667,{'tags': ['Lanthanum platinum (1/2)']},-40.61300026,-6.768833376666667,-1.0762258683333326,"['xas', 'bandstructure']",True,"[104700, 641696, 641702, 641687]",True,2021-05-12 10:57:55.580000,NM,6,8,mp-912,,LaPt2,"{'functional': 'PBE', 'labels': ['La', 'Pt'], 'pot_type': 'paw'}","{'La': 1.0, 'Pt': 2.0}",GGA,mp-912,"['mp-930048', 'mp-930529', 'mp-913762', 'mp-912', 'mp-1441098', 'mp-1696947', 'mp-1803269', 'mp-1588835']",0.00010075,"{'La': 2.0, 'Pt': 4.0}",121.75329801175435,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",1.6549859699122622e-06,0.00010075,0,0.0002015,MP,data/source/MP/cleaned/cifs/MP-mp-912.cif,False,,data/final/MP/graphs/La1Pt2-MP-mp-912.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Nb1Sn3,1,0.0,2.0,False,Nb2Sn6,Nb2Sn6,18.0,Other,True,Nb25Sn75,Nb-Sn,2,Supercon,NbSn3,MP-mp-1186237,Nb2Sn6,Nb-Sn,Nb25Sn75,P 63/m m c,hexagonal,5.48616,6.265156000645865,6.26515578,data/final/MP/cifs/Nb1Sn3-MP-mp-1186237.cif,data/source/MP/raw/cifs/mp-1186237.cif,mp-1186237,0.0,,2019-01-11 14:10:18.378000,7.996459869733521,,,{'GGA': {'task_id': 'mp-1751323'}},0.4143397162499997,8.54253746,520.0,-41.77997629,-5.22249703625,{'tags': []},-41.77997629,-5.22249703625,0.3100081149999996,['bandstructure'],True,[],True,2021-05-12 10:58:29.672000,NM,8,5,mp-1186237,,NbSn3,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Sn_d'], 'pot_type': 'paw'}","{'Nb': 1.0, 'Sn': 3.0}",GGA,mp-1186237,"['mp-1186237', 'mp-1389708', 'mp-1751323', 'mp-1834498', 'mp-1619858']",0.0117936,"{'Nb': 2.0, 'Sn': 6.0}",186.4931390794289,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0001264775750809,0.0117936,0,0.0235872,MP,data/source/MP/cleaned/cifs/MP-mp-1186237.cif,False,,data/final/MP/graphs/Nb1Sn3-MP-mp-1186237.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Ca1Cu2Hg1O6.19,2,0.0155865463494667,0.9692610662358644,True,Ba1.939Ca0.969Cu1.939Hg0.969O6,Ba2Ca1Cu2Hg1O6,122.0,Cuprate,True,Ba16.407Ca8.203Cu16.407Hg8.203O50.77932731747333,Ba-Ca-Cu-Hg-O,5,Supercon,Hg1Ba2Ca1Cu2O6.19,MP-mp-6879,Ba2Ca1Cu2Hg1O6,Ba-Ca-Cu-Hg-O,Ba16.667Ca8.333Cu16.667Hg8.333O50,P 4/m m m,tetragonal,3.904834,3.904834,13.058604,data/final/MP/cifs/Ba2Ca1Cu2Hg1O6.19-MP-mp-6879-synth_doped.cif,data/source/MP/raw/cifs/mp-6879.cif,mp-6879,0.0,,2011-05-14 23:17:39,6.158075338837193,10.17188/1284432,"@misc{osti_1284432,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2CaCu2HgO6 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1284432"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698891'}},0.017586347638888,3.04291167,520.0,-64.08791228,-5.3406593566666665,"{'tags': ['High pressure experimental phase', 'Mercury dibarium calcium dicopper oxide', 'Mercury barium calcium copper oxide (1/2/1/2/6)']}",-64.08791228,-5.3406593566666665,-2.0147092504166664,"['bandstructure', 'elasticity']",True,"[83087, 75729, 75727, 75726, 75725, 75728]",True,2021-05-12 10:56:27.046000,NM,12,12,mp-6879,oxide,Ba2CaCu2HgO6,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ca_sv', 'Cu_pv', 'Hg', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Hg': 1.0, 'O': 6.0}",GGA,mp-6879,"['mp-917434', 'mp-924375', 'mp-6879', 'mp-923788', 'mvc-16307', 'mp-1045026', 'mp-1045039', 'mp-1422313', 'mp-1698891', 'mp-1833979', 'mp-1592102', 'mp-1045044']",0.0305618,"{'Ba': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Hg': 1.0, 'O': 6.0}",199.11404926320108,[],NM,False,123,0,"[0.0, 0.0, 0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001534889181004,0.0305618,0,0.0305618,MP,data/source/MP/cleaned/cifs/MP-mp-6879.cif,True,,data/final/MP/graphs/Ba2Ca1Cu2Hg1O6.19-MP-mp-6879-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
B2C1Ni1.98Ru0.02Y1,2,0.0066666666666666,1.0,True,B2C1Ni1.98Ru0.02Y1,B2C1Ni2Y1,12.8,Other,True,B33.333C16.667Ni33Ru0.333Y16.667,B-C-Ni-Ru-Y,5,Supercon,Y1Ni1.98Ru0.02B2C1,MP-mp-6576,Y1Ni2B2C1,B-C-Ni-Y,B33.333C16.667Ni33.333Y16.667,I 4/m m m,tetragonal,3.548790000501972,3.548790000501972,5.76144136,data/final/MP/cifs/B2C1Ni1.98Ru0.02Y1-MP-mp-6576-synth_doped.cif,data/source/MP/raw/cifs/mp-6576.cif,mp-6576,0.0,,2011-05-13 05:21:43,6.099730998852292,10.17188/1281366,"@misc{osti_1281366,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281366"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688230'}},0.0,6.81083016,520.0,-43.677878,-7.279646333333333,{'tags': []},-43.677878,-7.279646333333333,-0.5109282141666659,"['xas', 'bandstructure']",True,"[75816, 89142, 83231, 79574, 41549]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6576,,YNi2B2C,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6576,"['mp-6576', 'mp-1007054', 'mp-1000583', 'mp-1439516', 'mp-1688230', 'mp-1794280', 'mp-1011792', 'mp-1597064']",0.0006603,"{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",65.3152437079014,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",1.010943177297096e-05,0.0006603,0,0.0006603,MP,data/source/MP/cleaned/cifs/MP-mp-6576.cif,True,,data/final/MP/graphs/B2C1Ni1.98Ru0.02Y1-MP-mp-6576-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ir0.69Y0.31,2,0.0466666666666666,6.0,False,Ir4.14Y1.86,Ir4Y2,1.98,Other,True,Ir69Y31,Ir-Y,2,Supercon,Ir0.69Y0.31,MP-mp-2762,Y2Ir4,Ir-Y,Ir66.667Y33.333,F d -3 m,cubic,5.36959071,5.36959071,5.36959071,data/final/MP/cifs/Ir0.69Y0.31-MP-mp-2762-synth_doped.cif,data/source/MP/raw/cifs/mp-2762.cif,mp-2762,0.0,,2011-05-13 07:37:37,14.35964193164293,10.17188/1201821,"@misc{osti_1201821,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YIr2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201821"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1690588'}},0.0,6.95640963,520.0,-53.17609962,-8.86268327,{'tags': ['Iridium yttrium (2/1)']},-53.17609962,-8.86268327,-0.8149059522222224,"['xas', 'elasticity', 'bandstructure']",True,"[641175, 641183, 104602, 641180, 104601]",True,2021-05-12 10:56:18.721000,NM,6,8,mp-2762,,YIr2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ir'], 'pot_type': 'paw'}","{'Y': 1.0, 'Ir': 2.0}",GGA,mp-2762,"['mp-941753', 'mp-941895', 'mp-935077', 'mp-2762', 'mp-1437563', 'mp-1690588', 'mp-1805279', 'mp-1596052']",0.0006015,"{'Y': 2.0, 'Ir': 4.0}",109.47338609767904,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0]",1.0988972232270298e-05,0.0006015,0,0.001203,MP,data/source/MP/cleaned/cifs/MP-mp-2762.cif,True,,data/final/MP/graphs/Ir0.69Y0.31-MP-mp-2762-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Sn1O1,1,0.0,2.0,False,Sn2O2,Sn2O2,2.605,Oxide,True,Sn50O50,Sn-O,2,Supercon,O1Sn1,MP-mp-2097,Sn2O2,Sn-O,Sn50O50,P 4/n m m,tetragonal,3.870595,3.870595,5.025226,data/final/MP/cifs/Sn1O1-MP-mp-2097.cif,data/source/MP/raw/cifs/mp-2097.cif,mp-2097,0.6296999999999997,,2011-05-12 22:53:03,5.942455446379406,10.17188/1196204,"@misc{osti_1196204,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SnO (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196204"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671683'}},0.0,6.24343603,700.0,-23.05987533,-5.7649688325,"{'tags': ['Tin oxide', 'Romarchite']}",-23.05987533,-5.7649688325,-1.6297024024999995,"['diel', 'xas', 'elasticity', 'bandstructure']",True,"[16481, 41954, 53926, 26597, 15516]",True,2021-05-12 10:56:14.760000,NM,4,11,mp-2097,oxide,SnO,"{'functional': 'PBE', 'labels': ['Sn_d', 'O'], 'pot_type': 'paw'}","{'Sn': 1.0, 'O': 1.0}",GGA,mp-2097,"['mp-659611', 'mp-656479', 'mp-2097', 'mp-1439335', 'mp-1540706', 'mp-1540905', 'mp-1671683', 'mp-1798623', 'mp-1922035', 'mp-1594143', 'mp-665115']",1.65e-06,"{'Sn': 2.0, 'O': 2.0}",75.28545173175343,[],NM,False,129,0,"[0, 0, 0, 0]",4.3833169943086725e-08,1.65e-06,0,3.3e-06,MP,data/source/MP/cleaned/cifs/MP-mp-2097.cif,False,,data/final/MP/graphs/Sn1O1-MP-mp-2097.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
La1Sn2,1,0.0,2.0,False,La2Sn4,La2Sn4,3.6,Other,True,La33.333Sn66.667,La-Sn,2,Supercon,La1Sn2,MP-mp-1077735,La2Sn4,La-Sn,La33.333Sn66.667,C m m m,orthorhombic,4.680830000860659,4.825745,7.99147524,data/final/MP/cifs/La1Sn2-MP-mp-1077735.cif,data/source/MP/raw/cifs/mp-1077735.cif,mp-1077735,0.0,,2018-04-09 13:48:25,7.241034348132668,,,{'GGA': {'task_id': 'mp-1705033'}},0.0136743365000011,8.43883589,520.0,-29.94358233,-4.990597055,"{'tags': ['ZrGa2', 'close-packed structure', 'LaSn2', 'Lanthanum stannide (1/2)']}",-29.94358233,-4.990597055,-0.6722134500000004,['bandstructure'],True,[657383],True,2021-05-12 10:58:14.654000,NM,6,5,mp-1077735,,LaSn2,"{'functional': 'PBE', 'labels': ['La', 'Sn_d'], 'pot_type': 'paw'}","{'La': 1.0, 'Sn': 2.0}",GGA,mp-1077735,"['mp-1077735', 'mp-1504792', 'mp-1705033', 'mp-1829689', 'mp-1591786']",0.00077345,"{'La': 2.0, 'Sn': 4.0}",172.60051938650378,[],NM,False,65,0,"[0, 0, 0, 0, 0, 0]",8.962313702753303e-06,0.00077345,0,0.0015469,MP,data/source/MP/cleaned/cifs/MP-mp-1077735.cif,False,,data/final/MP/graphs/La1Sn2-MP-mp-1077735.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Ba0.19Bi1K0.81O3,3,0.0573333333333333,3.0,False,Ba0.57Bi3K2.43O9,Ba1Bi3K2O9,8.4,Oxide,True,Ba3.8Bi20K16.2O60,Ba-Bi-K-O,4,Supercon,Ba0.19K0.81Bi1O3,MP-mp-1223672,K2Ba1Bi3O9,Ba-Bi-K-O,Ba6.667Bi20K13.333O60,P -3 m 1,trigonal,6.104433996276926,6.1044332,7.481113,data/final/MP/cifs/Ba0.19Bi1K0.81O3-MP-mp-1223672-synth_doped.cif,data/source/MP/raw/cifs/mp-1223672.cif,mp-1223672,0.0,,2019-01-13 00:02:05.715000,6.784857598202287,,,{'GGA': {'task_id': 'mp-1736675'}},0.0209399281666646,2.58339382,520.0,-80.80971432,-5.387314288,{'tags': []},-80.80971432,-5.387314288,-1.7767462414000008,[],False,[],True,2021-05-12 11:00:52.054000,NM,15,4,mp-1223672,oxide,K2Ba(BiO3)3,"{'functional': 'PBE', 'labels': ['K_sv', 'Ba_sv', 'Bi', 'O'], 'pot_type': 'paw'}","{'K': 2.0, 'Ba': 1.0, 'Bi': 3.0, 'O': 9.0}",GGA,mp-1223672,"['mp-1223672', 'mp-1408017', 'mp-1736675', 'mp-1774751']",0.001083,"{'K': 2.0, 'Ba': 1.0, 'Bi': 3.0, 'O': 9.0}",241.4279662625217,[],NM,False,164,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.485810060721703e-06,0.001083,0,0.001083,MP,data/source/MP/cleaned/cifs/MP-mp-1223672.cif,True,,data/final/MP/graphs/Ba0.19Bi1K0.81O3-MP-mp-1223672-synth_doped.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Al1B2,1,0.0,1.0,True,Al1B2,Al1B2,0.0,Other,True,Al33.333B66.667,Al-B,2,Supercon,Al1B2,MP-mp-944,Al1B2,Al-B,Al33.333B66.667,P 6/m m m,hexagonal,3.006985999525396,3.00698577,3.274424,data/final/MP/cifs/Al1B2-MP-mp-944.cif,data/source/MP/raw/cifs/mp-944.cif,mp-944,0.0,,2011-05-12 17:07:42,3.14766621242468,10.17188/1272697,"@misc{osti_1272697,
    author = ""Persson, Kristin"",
    title = ""Materials Data on AlB2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1272697"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686833'}},0.0101373945333325,10.17253385,520.0,-17.23332169,-5.744440563333334,"{'tags': ['Aluminum boride (1/2)', 'Aluminium boride (1/2)']}",-17.23332169,-5.744440563333334,-0.0429874394444442,"['xas', 'elasticity', 'bandstructure']",True,"[43851, 606058, 52282, 606057, 160898, 654653, 159334]",True,2021-05-12 10:56:35.166000,NM,3,10,mp-944,,AlB2,"{'functional': 'PBE', 'labels': ['Al', 'B'], 'pot_type': 'paw'}","{'Al': 1.0, 'B': 2.0}",GGA,mp-944,"['mp-1006922', 'mp-1000450', 'mp-944', 'mp-1263816', 'mp-1476220', 'mp-1686833', 'mp-1793262', 'mp-1011636', 'mp-1594295', 'mp-1587660']",1.7e-05,"{'Al': 1.0, 'B': 2.0}",25.640607730808537,[],NM,False,191,0,"[0, 0, 0]",6.630108060806066e-07,1.7e-05,0,1.7e-05,MP,data/source/MP/cleaned/cifs/MP-mp-944.cif,False,,data/final/MP/graphs/Al1B2-MP-mp-944.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Bi2Zr1,1,0.0,8.0,False,Bi16Zr8,Bi16Zr8,0.0,Other,True,Bi66.667Zr33.333,Bi-Zr,2,Supercon,Bi2Zr1,MP-mp-29642,Zr8Bi16,Bi-Zr,Bi66.667Zr33.333,P n n m,orthorhombic,4.061196,10.412951,15.692119,data/final/MP/cifs/Bi2Zr1-MP-mp-29642.cif,data/source/MP/raw/cifs/mp-29642.cif,mp-29642,0.0,,2014-02-21 00:02:12,10.19307331196961,10.17188/1204129,"@misc{osti_1204129,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrBi2 (SG:58) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204129"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1754958'}},0.0,6.39190417,520.0,-137.2201122,-5.717504675,{'tags': ['Zirconium bismutide (1/2)']},-137.2201122,-5.717504675,-0.2749149249999997,"['xas', 'bandstructure']",True,[42880],True,2021-05-12 10:57:04.957000,NM,24,8,mp-29642,,ZrBi2,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Bi'], 'pot_type': 'paw'}","{'Zr': 1.0, 'Bi': 2.0}",GGA,mp-29642,"['mp-925480', 'mp-925907', 'mp-909887', 'mp-29642', 'mp-1385220', 'mp-1754958', 'mp-1892504', 'mp-1619779']",0.0007002375,"{'Zr': 8.0, 'Bi': 16.0}",663.604568821081,[],NM,False,58,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",8.441623616232768e-06,0.0007002375,0,0.0056019,MP,data/source/MP/cleaned/cifs/MP-mp-29642.cif,False,,data/final/MP/graphs/Bi2Zr1-MP-mp-29642.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ca0.3Cu2Ga1Sr2Tm0.7O7,3,0.0461538461538461,2.0,False,Ca0.6Cu4Ga2Sr4Tm1.4O14,Cu4Ga2Sr4Tm2O14,40.0,Cuprate,True,Ca2.308Cu15.385Ga7.692Sr15.385Tm5.385O53.84615384615385,Ca-Cu-Ga-Sr-Tm-O,6,Supercon,Ga1Sr2Tm0.7Ca0.3Cu2O7,MP-mp-1208765,Sr4Tm2Ga2Cu4O14,Cu-Ga-Sr-Tm-O,Cu15.385Ga7.692Sr15.385Tm7.692O53.84615384615385,I m a 2,orthorhombic,5.385199998771794,5.494137999161616,12.190939,data/final/MP/cifs/Ca0.3Cu2Ga1Sr2Tm0.7O7-MP-mp-1208765-synth_doped.cif,data/source/MP/raw/cifs/mp-1208765.cif,mp-1208765,0.0,,2019-01-12 11:37:12.188000,6.336016753135081,,,,0.0276042121153867,3.45472983,520.0,-162.95108741,-6.267349515769231,"{'tags': ['Sr2Cu2TmGaO7', 'Sr2Cu2YGaO7', 'high-Tc cuprate family']}",-162.95108741,-6.267349515769231,-2.5051911521153847,[],False,[],True,2021-05-12 11:00:21.818000,NM,26,3,mp-1208765,oxide,Sr2TmGaCu2O7,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Tm_3', 'Ga_d', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Tm': 1.0, 'Ga': 1.0, 'Cu': 2.0, 'O': 7.0}",GGA,mp-1208765,"['mp-1208765', 'mp-1326363', 'mp-1839779']",0.0007576,"{'Sr': 4.0, 'Tm': 2.0, 'Ga': 2.0, 'Cu': 4.0, 'O': 14.0}",342.2677563068857,[],NM,False,5,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",4.426943444364167e-06,0.0007576,0,0.0015152,MP,data/source/MP/cleaned/cifs/MP-mp-1208765.cif,True,,data/final/MP/graphs/Ca0.3Cu2Ga1Sr2Tm0.7O7-MP-mp-1208765-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,0,1,0,1.0,False
As1Ca1F1Fe0.95Ni0.05,2,0.025,2.0,False,As2Ca2F2Fe1.9Ni0.1,As2Ca2F2Fe2,0.0,Ferrite,True,As25Ca25F25Fe23.75Ni1.25,As-Ca-F-Fe-Ni,5,Supercon,Ca1Fe0.95Ni0.05As1F1,MP-mp-1079859,Ca2Fe2As2F2,As-Ca-F-Fe,As25Ca25F25Fe25,P m m n,orthorhombic,3.933336,3.981276,9.018918,data/final/MP/cifs/As1Ca1F1Fe0.95Ni0.05-MP-mp-1079859-synth_doped.cif,data/source/MP/raw/cifs/mp-1079859.cif,mp-1079859,0.0,,2018-04-16 14:43:21,4.464120586611354,,,{'GGA+U': {'task_id': 'mp-1695365'}},0.2859614887499973,4.27317878,520.0,-41.71531675,-5.21441459375,"{'tags': ['Calcium iron arsenide fluoride', 'High pressure experimental phase']}",-41.71531675,-5.21441459375,-1.632363168125,['bandstructure'],True,[186505],True,2021-05-12 10:58:16.596000,FM,8,6,mp-1079859,,CaFeAsF,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Fe_pv', 'As', 'F'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Fe': 1.0, 'As': 1.0, 'F': 1.0}",GGA+U,mp-1079859,"['mp-1079859', 'mp-1475687', 'mp-1695365', 'mp-1785040', 'mp-1938652', 'mp-1594699']",3.7150606,"{'Ca': 2.0, 'Fe': 2.0, 'As': 2.0, 'F': 2.0}",141.2335160836522,[],FM,True,59,1,"[0.0, 0.0, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0]",0.0526087674231601,3.7150606,2,7.4301212,MP,data/source/MP/cleaned/cifs/MP-mp-1079859.cif,True,,data/final/MP/graphs/As1Ca1F1Fe0.95Ni0.05-MP-mp-1079859-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Au1V3,1,0.0,2.0,False,Au2V6,Au2V6,2.2192,Other,True,Au25V75,Au-V,2,Supercon,Au1V3,MP-mp-839,V6Au2,Au-V,Au25V75,P m -3 n,cubic,4.881091,4.881091,4.881091,data/final/MP/cifs/Au1V3-MP-mp-839.cif,data/source/MP/raw/cifs/mp-839.cif,mp-839,0.0,,2011-05-14 03:30:11,9.989346931472513,10.17188/1308070,"@misc{osti_1308070,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Au (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1308070"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1695038'}},0.0,6.24725953,520.0,-61.34047794,-7.6675597425,{'tags': ['Gold vanadium (1/3)']},-61.34047794,-7.6675597425,-0.0361598049999996,"['bandstructure', 'elasticity']",True,"[612456, 58612, 612451, 612459]",True,2021-05-12 10:56:31.128000,FM,8,8,mp-839,,V3Au,"{'functional': 'PBE', 'labels': ['V_pv', 'Au'], 'pot_type': 'paw'}","{'V': 3.0, 'Au': 1.0}",GGA,mp-839,"['mp-941051', 'mp-839', 'mp-932069', 'mp-940891', 'mp-1420994', 'mp-1695038', 'mp-1802554', 'mp-1596616']",1.39593805,"{'V': 6.0, 'Au': 2.0}",116.2922339582124,[],FM,True,47,1,"[0.4, 0.4, 0.5, 0.5, 0.2, 0.2, 0.0, 0.0]",0.0240074165313843,1.39593805,6,2.7918761,MP,data/source/MP/cleaned/cifs/MP-mp-839.cif,False,,data/final/MP/graphs/Au1V3-MP-mp-839.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B6Ce0.01Y0.99,2,0.0028571428571428,1.0,True,B6Ce0.01Y0.99,B6Y1,0.0,Other,True,B85.714Ce0.143Y14.143,B-Ce-Y,3,Supercon,B6Ce0.01Y0.99,MP-mp-2203,Y1B6,B-Y,B85.714Y14.286,P m -3 m,cubic,4.1021,4.1021,4.1021,data/final/MP/cifs/B6Ce0.01Y0.99-MP-mp-2203-synth_doped.cif,data/source/MP/raw/cifs/mp-2203.cif,mp-2203,0.0,,2011-05-12 20:11:15,3.699194842606093,10.17188/1197299,"@misc{osti_1197299,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YB6 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197299"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686414'}},0.0285229421428576,6.62579631,520.0,-49.33978236,-7.048540337142858,"{'tags': ['Yttrium boride (1/6)', 'Yttrium octahedro-hexaboride', 'Yttrium hexaboride']}",-49.33978236,-7.048540337142858,-0.3995658030952376,"['xas', 'elasticity', 'bandstructure']",True,"[194635, 615723, 54730, 615726, 615714, 659505, 76126, 615728, 615710]",True,2021-05-12 10:56:16.728000,NM,7,9,mp-2203,,YB6,"{'functional': 'PBE', 'labels': ['Y_sv', 'B'], 'pot_type': 'paw'}","{'Y': 1.0, 'B': 6.0}",GGA,mp-2203,"['mp-1000404', 'mp-1006875', 'mp-2203', 'mp-1077859', 'mp-1440131', 'mp-1686414', 'mp-1801281', 'mp-1011609', 'mp-1592923']",3.48e-05,"{'Y': 1.0, 'B': 6.0}",69.026957252261,[],NM,False,221,0,"[0, 0, 0, 0, 0, 0, 0]",5.041508620005138e-07,3.48e-05,0,3.48e-05,MP,data/source/MP/cleaned/cifs/MP-mp-2203.cif,True,,data/final/MP/graphs/B6Ce0.01Y0.99-MP-mp-2203-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Nd1Ni1O3,1,0.0,4.0,False,Nd4Ni4O12,Nd4Ni4O12,0.0,Oxide,True,Nd20Ni20O60,Nd-Ni-O,3,Supercon,Nd1Ni1O3,MP-mp-22106,Nd4Ni4O12,Nd-Ni-O,Nd20Ni20O60,P n m a,orthorhombic,5.431762,5.495849,7.709429,data/final/MP/cifs/Nd1Ni1O3-MP-mp-22106.cif,data/source/MP/raw/cifs/mp-22106.cif,mp-22106,0.0,,2014-02-19 13:18:08,7.242194237367626,,,{'GGA+U': {'task_id': 'mp-1701351'}},0.0,3.99854667,520.0,-131.66600273,-6.5833001365,"{'tags': ['Neodymium nickel(III) oxide', 'Dineodymium niccolate', 'Neodymium niccolate', 'Neodymium nickel oxide', 'Neodymium niccolate(III)']}",-131.66600273,-6.5833001365,-2.425267555500001,"['xas', 'bandstructure']",True,"[155746, 67725, 164825, 67724, 416213, 78319, 164562, 155747, 67723, 69788, 155748, 67722, 24875, 416212]",True,2021-05-12 10:57:01.079000,FM,20,11,mp-22106,oxide,NdNiO3,"{'functional': 'PBE', 'labels': ['Nd_3', 'Ni_pv', 'O'], 'pot_type': 'paw'}","{'Nd': 1.0, 'Ni': 1.0, 'O': 3.0}",GGA+U,mp-22106,"['mp-919926', 'mp-918860', 'mp-905914', 'mp-602303', 'mp-25591', 'mp-1189695', 'mp-22106', 'mp-1416651', 'mp-1701351', 'mp-1930748', 'mp-1599871']",1.00005245,"{'Nd': 4.0, 'Ni': 4.0, 'O': 12.0}",230.14298278419733,[],FM,True,62,1,"[0.0, 0.0, 0.0, 0.0, 1.4, 1.4, 1.4, 1.4, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0173814111193255,1.00005245,4,4.0002098,MP,data/source/MP/cleaned/cifs/MP-mp-22106.cif,False,,data/final/MP/graphs/Nd1Ni1O3-MP-mp-22106.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ba2Cu3Gd0.1Pr0.9O7,2,0.0153846153846153,1.0,True,Ba2Cu3Gd0.1Pr0.9O7,Ba2Cu3Pr1O7,0.0,Cuprate,True,Ba15.385Cu23.077Gd0.769Pr6.923O53.84615384615385,Ba-Cu-Gd-Pr-O,5,Supercon,Gd0.1Pr0.9Ba2Cu3O7,MP-mp-20936,Ba2Pr1Cu3O7,Ba-Cu-Pr-O,Ba15.385Cu23.077Pr7.692O53.84615384615385,P m m m,orthorhombic,3.903923,3.95568,11.916432,data/final/MP/cifs/Ba2Cu3Gd0.1Pr0.9O7-MP-mp-20936-synth_doped.cif,data/source/MP/raw/cifs/mp-20936.cif,mp-20936,0.0,,2014-02-22 14:41:55,6.480717836004672,10.17188/1196129,"@misc{osti_1196129,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2PrCu3O7 (SG:47) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196129"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698257'}},0.0256000172756332,3.18514576,520.0,-78.62827906,-6.048329158461538,"{'tags': ['Dibarium praseodymium tricopper heptaoxide', 'Praseodymium dibarium dicopper copper(III) oxide', 'Praseodymium dibarium tricopper heptaoxide', 'Praseodymium dibarium copper(III) dicopper oxide']}",-78.62827906,-6.048329158461538,-2.145007016153845,"['xas', 'bandstructure']",True,"[41452, 94377, 81168, 173910, 89221]",True,2021-05-12 10:56:57.051000,NM,13,8,mp-20936,oxide,Ba2PrCu3O7,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pr_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Pr': 1.0, 'Cu': 3.0, 'O': 7.0}",GGA,mp-20936,"['mp-988090', 'mp-987725', 'mp-20936', 'mp-1417367', 'mp-1698257', 'mp-1833655', 'mp-988324', 'mp-1602318']",0.0007234,"{'Ba': 2.0, 'Pr': 1.0, 'Cu': 3.0, 'O': 7.0}",184.02152853403555,[],NM,False,47,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.931061793491212e-06,0.0007234,0,0.0007234,MP,data/source/MP/cleaned/cifs/MP-mp-20936.cif,True,,data/final/MP/graphs/Ba2Cu3Gd0.1Pr0.9O7-MP-mp-20936-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ba0.035Cu1La1.965O4,2,0.0099999999999999,1.0,True,Ba0.035Cu1La1.965O4,Cu1La2O4,0.0,Cuprate,True,Ba0.5Cu14.286La28.071O57.142857142857146,Ba-Cu-La-O,4,Supercon,La1.965Ba0.035Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ba0.035Cu1La1.965O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ba0.035Cu1La1.965O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Be1H4Li2,1,0.0,8.0,False,Be8H32Li16,Be8H32Li16,0.0,Other,True,Be14.286H57.143Li28.571,Be-H-Li,3,Supercon,Li2Be1H4,MP-mp-1180666,Li16Be8H32,Be-H-Li,Be14.286H57.143Li28.571,P 1 21/c 1,monoclinic,6.99734581,8.23705,8.29081105,data/final/MP/cifs/Be1H4Li2-MP-mp-1180666.cif,data/source/MP/raw/cifs/mp-1180666.cif,mp-1180666,4.601800000000001,,2019-01-11 09:50:44.372000,0.7500442955617296,,,,0.0,2.37369217,520.0,-185.77520989,-3.317414462321429,{'tags': ['Dilithium beryllium deuteride']},-185.77520989,-3.317414462321429,-0.4013912082738099,[],False,[170222],True,2021-05-12 10:59:47.973000,NM,56,3,mp-1180666,,Li2BeH4,"{'functional': 'PBE', 'labels': ['Li_sv', 'Be_sv', 'H'], 'pot_type': 'paw'}","{'Li': 2.0, 'Be': 1.0, 'H': 4.0}",GGA,mp-1180666,"['mp-1180666', 'mp-1817281', 'mp-1987095']",2.35625e-05,"{'Li': 16.0, 'Be': 8.0, 'H': 32.0}",476.8953392281447,[],NM,False,14,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.952649239665193e-07,2.35625e-05,0,0.0001885,MP,data/source/MP/cleaned/cifs/MP-mp-1180666.cif,False,,data/final/MP/graphs/Be1H4Li2-MP-mp-1180666.json,0,True,2/m,0,0,3,0,0,0,0,1,0,0,0,1.0,False
Au0.499Ga0.501,2,0.002,8.0,False,Au3.992Ga4.008,Au4Ga4,1.17,Other,True,Au49.9Ga50.1,Au-Ga,2,Supercon,Au0.499Ga0.501,MP-mp-30379,Ga4Au4,Au-Ga,Au50Ga50,P n m a,orthorhombic,3.592694,6.387953,6.453923,data/final/MP/cifs/Au0.499Ga0.501-MP-mp-30379-synth_doped.cif,data/source/MP/raw/cifs/mp-30379.cif,mp-30379,0.0,,2015-02-12 05:28:38,11.95940016805038,10.17188/1204793,"@misc{osti_1204793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on GaAu (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700771'}},0.0,4.5667665,520.0,-27.04365391,-3.38045673875,"{'tags': ['Gold gallium (1/1)', 'Gold(III) gallide']}",-27.04365391,-3.38045673875,-0.2294679574999998,"['xas', 'bandstructure']",True,"[611867, 58457]",True,2021-05-12 10:57:04.957000,NM,8,8,mp-30379,,GaAu,"{'functional': 'PBE', 'labels': ['Ga_d', 'Au'], 'pot_type': 'paw'}","{'Ga': 1.0, 'Au': 1.0}",GGA,mp-30379,"['mp-940857', 'mp-941001', 'mp-932752', 'mp-30379', 'mp-1414503', 'mp-1700771', 'mp-1788338', 'mp-1589572']",0.001013025,"{'Ga': 4.0, 'Au': 4.0}",148.11727737392346,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.735737566773143e-05,0.001013025,0,0.0040521,MP,data/source/MP/cleaned/cifs/MP-mp-30379.cif,True,,data/final/MP/graphs/Au0.499Ga0.501-MP-mp-30379-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Cu2Gd1Ru0.95Sn0.05Sr2O8,2,0.0071428571428571,2.0,False,Cu4Gd2Ru1.9Sn0.1Sr4O16,Cu4Gd2Ru2Sr4O16,30.0,Cuprate,True,Cu14.286Gd7.143Ru6.786Sn0.357Sr14.286O57.142857142857146,Cu-Gd-Ru-Sn-Sr-O,6,Supercon,Ru0.95Sn0.05Sr2Gd1Cu2O8,MP-mp-1194240,Sr4Gd2Cu4Ru2O16,Cu-Gd-Ru-Sr-O,Cu14.286Gd7.143Ru7.143Sr14.286O57.142857142857146,P 4/m b m,tetragonal,5.472451,5.472451,11.740702,data/final/MP/cifs/Cu2Gd1Ru0.95Sn0.05Sr2O8-MP-mp-1194240-synth_doped.cif,data/source/MP/raw/cifs/mp-1194240.cif,mp-1194240,0.0,,2019-01-11 23:51:58.932000,6.504561898971391,,,{'GGA': {'task_id': 'mp-1765260'}},0.0213449239285443,3.93502801,520.0,-201.55352223,-7.198340079642857,"{'tags': ['Sr2Cu2GdRuO8 orth', 'Sr2Cu2GdRuO8', 'Ruthenium distrontium gadolinium dicopper octaoxide']}",-201.55352223,-7.198340079642857,-2.268654352380952,['bandstructure'],True,[245741],True,2021-05-12 10:58:35.561000,FiM,28,6,mp-1194240,oxide,Sr2GdCu2RuO8,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Gd', 'Cu_pv', 'Ru_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Gd': 1.0, 'Cu': 2.0, 'Ru': 1.0, 'O': 8.0}",GGA,mp-1194240,"['mp-1194240', 'mp-1396976', 'mp-1659973', 'mp-1765260', 'mp-1841948', 'mp-1638264']",4.23696715,"{'Sr': 4.0, 'Gd': 2.0, 'Cu': 4.0, 'Ru': 2.0, 'O': 16.0}",351.6072554818909,[],FiM,True,127,2,"[-0.0, -0.0, -0.0, -0.0, 6.9, 6.9, 0.0, 0.0, 0.0, 0.0, -1.8, -1.8, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0241005672319991,4.23696715,4,8.4739343,MP,data/source/MP/cleaned/cifs/MP-mp-1194240.cif,True,,data/final/MP/graphs/Cu2Gd1Ru0.95Sn0.05Sr2O8-MP-mp-1194240-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Cu1Rh2S4,1,0.0,2.0,False,Cu2Rh4S8,Cu2Rh4S8,3.794,Other,True,Cu14.286Rh28.571S57.143,Cu-Rh-S,3,Supercon,Cu1Rh2S4,MP-mp-15613,Cu2Rh4S8,Cu-Rh-S,Cu14.286Rh28.571S57.143,F d -3 m,cubic,6.98743829,6.987438289999999,6.987438289999999,data/final/MP/cifs/Cu1Rh2S4-MP-mp-15613.cif,data/source/MP/raw/cifs/mp-15613.cif,mp-15613,0.0,,2011-06-05 06:28:04,5.474003596961352,10.17188/1191271,"@misc{osti_1191271,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Cu(RhS2)2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191271"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1676515'}},0.0,5.28884909,520.0,-76.75879515,-5.482771082142857,"{'tags': ['Copper rhodium sulfide (1/2/4)', 'Copper dirhodium sulfide', 'Cuprorhodsite']}",-76.75879515,-5.482771082142857,-0.716825099642857,"['xas', 'bandstructure']",True,"[628767, 41900]",True,2021-05-12 10:56:53.126000,NM,14,8,mp-15613,,Cu(RhS2)2,"{'functional': 'PBE', 'labels': ['Cu_pv', 'Rh_pv', 'S'], 'pot_type': 'paw'}","{'Cu': 1.0, 'Rh': 2.0, 'S': 4.0}",GGA,mp-15613,"['mp-920968', 'mp-942816', 'mp-942447', 'mp-15613', 'mp-1475540', 'mp-1676515', 'mp-1774816', 'mp-1603317']",0.0083359,"{'Cu': 2.0, 'Rh': 4.0, 'S': 8.0}",241.23424486268337,[],NM,False,227,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",6.91104200794129e-05,0.0083359,0,0.0166718,MP,data/source/MP/cleaned/cifs/MP-mp-15613.cif,False,,data/final/MP/graphs/Cu1Rh2S4-MP-mp-15613.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Cu1La2O4.032,2,0.0039005363237445,0.992021164021164,True,Cu0.992La1.984O4,Cu1La2O4,30.0,Cuprate,True,Cu14.221La28.441O57.33788395904437,Cu-La-O,3,Supercon,La2Cu1O4.032,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La2O4.032-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La2O4.032-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ge2.1La1Pt1.9,2,0.04,1.0,True,Ge2.1La1Pt1.9,Ge2La1Pt2,1.67,Other,True,Ge42La20Pt38,Ge-La-Pt,3,Supercon,La1Pt1.9Ge2.1,MP-mp-21057,La1Ge2Pt2,Ge-La-Pt,Ge40La20Pt40,I 4/m m m,tetragonal,4.458128002603763,4.458128002603763,5.96043246,data/final/MP/cifs/Ge2.1La1Pt1.9-MP-mp-21057-synth_doped.cif,data/source/MP/raw/cifs/mp-21057.cif,mp-21057,0.0,,2014-02-21 09:25:11,11.137876633950224,10.17188/1196317,"@misc{osti_1196317,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La(GePt)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196317"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704515'}},0.0973405535000013,6.85937735,520.0,-30.67754438,-6.135508876,{'tags': ['Lanthanum platinum germanide (1/2/2)']},-30.67754438,-6.135508876,-0.8707332289999996,"['xas', 'bandstructure']",True,[53665],True,2021-05-12 10:56:57.051000,NM,5,8,mp-21057,,La(GePt)2,"{'functional': 'PBE', 'labels': ['La', 'Ge_d', 'Pt'], 'pot_type': 'paw'}","{'La': 1.0, 'Ge': 2.0, 'Pt': 2.0}",GGA,mp-21057,"['mp-993642', 'mp-991893', 'mp-21057', 'mp-1429115', 'mp-1704515', 'mp-1783057', 'mp-994947', 'mp-1591906']",0.003651,"{'La': 1.0, 'Ge': 2.0, 'Pt': 2.0}",100.53893739664449,[],NM,False,139,0,"[0, 0, 0, 0, 0]",3.631428871777447e-05,0.003651,0,0.003651,MP,data/source/MP/cleaned/cifs/MP-mp-21057.cif,True,,data/final/MP/graphs/Ge2.1La1Pt1.9-MP-mp-21057-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2Mg0.93Na0.07,2,0.0466666666666666,1.0,True,B2Mg0.93Na0.07,B2Mg1,38.0,Other,True,B66.667Mg31Na2.333,B-Mg-Na,3,Supercon,Mg0.93Na0.07B2,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B2Mg0.93Na0.07-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B2Mg0.93Na0.07-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As1Ce1F0.12Fe1O0.88,3,0.06,2.0,False,As2Ce2F0.24Fe2O1.76,As2Ce2Fe2O2,43.5,Ferrite,True,As25Ce25F3Fe25O22,As-Ce-F-Fe-O,5,Supercon,Ce1Fe1As1F0.12O0.88,MP-mp-605060,Ce2Fe2As2O2,As-Ce-Fe-O,As25Ce25Fe25O25,P 4 m m,tetragonal,3.992256,3.992256,9.041971,data/final/MP/cifs/As1Ce1F0.12Fe1O0.88-MP-mp-605060-synth_doped.cif,data/source/MP/raw/cifs/mp-605060.cif,mp-605060,0.0,,2014-02-14 20:12:08,6.611233843492404,10.17188/1277425,"@misc{osti_1277425,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeFeAsO (SG:99) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277425"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1751604'}},0.2072581873958352,6.30288445,520.0,-55.74271596,-6.967839495,{'tags': []},-55.74271596,-6.967839495,-1.7010452412499992,['bandstructure'],True,[],True,2021-05-12 10:58:51.532000,FiM,8,10,mp-605060,oxide,CeFeAsO,"{'functional': 'PBE', 'labels': ['Ce', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-605060,"['mp-605060', 'mp-917114', 'mp-918266', 'mp-919274', 'mp-1443189', 'mp-1751604', 'mp-1770633', 'mp-1779614', 'mp-1873964', 'mp-1622328']",2.99945325,"{'Ce': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",144.11191005541338,[],FiM,True,99,3,"[-0.5, -0.5, 3.5, 3.5, 0.0, 0.0, 0.0, 0.0]",0.0416267225775671,2.99945325,4,5.9989065,MP,data/source/MP/cleaned/cifs/MP-mp-605060.cif,True,,data/final/MP/graphs/As1Ce1F0.12Fe1O0.88-MP-mp-605060-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,1,0,0,0,1.0,False
B4Er0.11Ho0.89Rh4,2,0.0244444444444444,2.0,False,B8Er0.22Ho1.78Rh8,B8Ho2Rh8,5.883333333,Other,True,B44.444Er1.222Ho9.889Rh44.444,B-Er-Ho-Rh,4,Supercon,Er0.11Ho0.89Rh4B4,MP-mp-1189784,Ho2B8Rh8,B-Ho-Rh,B44.444Ho11.111Rh44.444,P 42/n m c,tetragonal,5.334437,5.334437,7.442515,data/final/MP/cifs/B4Er0.11Ho0.89Rh4-MP-mp-1189784-synth_doped.cif,data/source/MP/raw/cifs/mp-1189784.cif,mp-1189784,0.0,,2019-01-11 20:27:24.618000,9.719214946416653,,,{'GGA': {'task_id': 'mp-1671459'}},0.0130335600000011,6.87149626,520.0,-131.93964083,-7.329980046111111,{'tags': ['Holmium rhodium boride (1/4/4)']},-131.93964083,-7.329980046111111,-0.5791792201851851,['bandstructure'],True,[601533],True,2021-05-12 10:58:33.577000,NM,18,5,mp-1189784,,Ho(BRh)4,"{'functional': 'PBE', 'labels': ['Ho_3', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Ho': 1.0, 'B': 4.0, 'Rh': 4.0}",GGA,mp-1189784,"['mp-1189784', 'mp-1430146', 'mp-1671459', 'mp-1786743', 'mp-1604112']",0.00025395,"{'Ho': 2.0, 'B': 8.0, 'Rh': 8.0}",211.7858301043884,[],NM,False,137,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.39817744062319e-06,0.00025395,0,0.0005079,MP,data/source/MP/cleaned/cifs/MP-mp-1189784.cif,True,,data/final/MP/graphs/B4Er0.11Ho0.89Rh4-MP-mp-1189784-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Al0.2La0.8,3,0.1,8.0,False,Al1.6La6.4,Al2La6,4.43,Other,True,Al20La80,Al-La,2,Supercon,Al0.2La0.8,MP-mp-1084828,La6Al2,Al-La,Al25La75,P 63/m m c,hexagonal,5.462619,7.265429996073226,7.26543004,data/final/MP/cifs/Al0.2La0.8-MP-mp-1084828-synth_doped.cif,data/source/MP/raw/cifs/mp-1084828.cif,mp-1084828,0.0,,2018-04-25 13:28:11,5.900819389809003,,,{'GGA': {'task_id': 'mp-1699786'}},0.0043635418749996,7.93832938,520.0,-38.71831372,-4.839789215,"{'tags': ['Lanthanum aluminium (3/1)', 'Lanthanum aluminide (3/1)']}",-38.71831372,-4.839789215,-0.2013899287500002,['bandstructure'],True,"[603210, 608280]",True,2021-05-12 10:58:18.470000,NM,8,6,mp-1084828,,La3Al,"{'functional': 'PBE', 'labels': ['La', 'Al'], 'pot_type': 'paw'}","{'La': 3.0, 'Al': 1.0}",GGA,mp-1084828,"['mp-1084828', 'mp-1095107', 'mp-1414408', 'mp-1699786', 'mp-1777076', 'mp-1599938']",0.00020505,"{'La': 6.0, 'Al': 2.0}",249.72049769665185,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",1.6422360350177154e-06,0.00020505,0,0.0004101,MP,data/source/MP/cleaned/cifs/MP-mp-1084828.cif,True,,data/final/MP/graphs/Al0.2La0.8-MP-mp-1084828-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ag1Ce1Sb2,1,0.0,2.0,False,Ag2Ce2Sb4,Ag2Ce2Sb4,0.0,Heavy_fermion,True,Ag25Ce25Sb50,Ag-Ce-Sb,3,Supercon,Ce1Ag1Sb2,MP-mp-510280,Ce2Ag2Sb4,Ag-Ce-Sb,Ag25Ce25Sb50,P 4/n m m,tetragonal,4.41002,4.41002,10.497458,data/final/MP/cifs/Ag1Ce1Sb2-MP-mp-510280.cif,data/source/MP/raw/cifs/mp-510280.cif,mp-510280,0.0,,2014-02-25 23:15:18,7.995415957529628,10.17188/1262872,"@misc{osti_1262872,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeAgSb2 (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1262872"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687655'}},0.0,7.47435888,520.0,-39.35538663,-4.91942332875,"{'tags': ['Cerium silver antimonide (1/1/2)', 'Cerium silver antimonide']}",-39.35538663,-4.91942332875,-0.7595114191666665,"['xas', 'bandstructure']",True,"[98413, 79450, 79425]",True,2021-05-12 10:57:08.928000,FM,8,8,mp-510280,,CeAgSb2,"{'functional': 'PBE', 'labels': ['Ce', 'Ag', 'Sb'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Ag': 1.0, 'Sb': 2.0}",GGA,mp-510280,"['mp-923851', 'mp-908844', 'mp-510280', 'mp-924454', 'mp-1300542', 'mp-1687655', 'mp-1787482', 'mp-1587880']",0.67891415,"{'Ce': 2.0, 'Ag': 2.0, 'Sb': 4.0}",204.15746468559016,[],FM,True,129,1,"[0.7, 0.7, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0066508873534999,0.67891415,2,1.3578283,MP,data/source/MP/cleaned/cifs/MP-mp-510280.cif,False,,data/final/MP/graphs/Ag1Ce1Sb2-MP-mp-510280.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Na0.33V2O5,2,0.0008681632146843,6.0,False,Na1.98V12O30,Na2V12O30,7.666666667,Oxide,True,Na4.502V27.285O68.21282401091406,Na-V-O,3,Supercon,Na0.33V2O5,MP-mp-757364,Na2V12O30,Na-V-O,Na4.545V27.273O68.18181818181819,P -1,triclinic,7.303908999999999,8.03549031,10.27724234,data/final/MP/cifs/Na0.33V2O5-MP-mp-757364-synth_doped.cif,data/source/MP/raw/cifs/mp-757364.cif,mp-757364,0.0,,2014-05-08 02:01:00,3.416141607261044,,,,0.0229586038636284,1.8719007,520.0,-321.21562817,-7.300355185681818,{'tags': []},-321.21562817,-7.300355185681818,-2.3212471498432605,[],False,[],True,2021-05-12 11:01:47.071000,FM,44,4,mp-757364,oxide,NaV6O15,"{'functional': 'PBE', 'labels': ['Na_pv', 'V_pv', 'O'], 'pot_type': 'paw'}","{'Na': 1.0, 'V': 6.0, 'O': 15.0}",GGA+U,mp-757364,"['mp-761667', 'mp-757364', 'mp-1379964', 'mp-1921722']",1.0000013,"{'Na': 2.0, 'V': 12.0, 'O': 30.0}",552.8060922967654,[],FM,True,2,6,"[0.0, 0.0, 0.4, 0.3, 0.3, 0.3, 0.1, 0.2, 0.1, 0.2, 0.3, 0.3, 0.3, 0.4, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0036179098383133,1.0000013,12,2.0000026,MP,data/source/MP/cleaned/cifs/MP-mp-757364.cif,True,,data/final/MP/graphs/Na0.33V2O5-MP-mp-757364-synth_doped.json,0,True,-1,0,0,0,0,0,2,0,1,0,0,0,1.0,False
Ce0.13Cu1Sm1.87O4,2,0.0371428571428571,1.0,True,Ce0.13Cu1Sm1.87O4,Cu1Sm2O4,0.0,Cuprate,True,Ce1.857Cu14.286Sm26.714O57.142857142857146,Ce-Cu-Sm-O,4,Supercon,Sm1.87Ce0.13Cu1O4,MP-mp-4210,Sm2Cu1O4,Cu-Sm-O,Cu14.286Sm28.571O57.142857142857146,I 4/m m m,tetragonal,3.936481999770292,3.936481999770292,6.66682973,data/final/MP/cifs/Ce0.13Cu1Sm1.87O4-MP-mp-4210-synth_doped.cif,data/source/MP/raw/cifs/mp-4210.cif,mp-4210,0.0,,2011-05-13 10:20:22,7.575626216473968,10.17188/1207966,"@misc{osti_1207966,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sm2CuO4 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207966"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-670158'}},0.0084157301785579,3.24265454,520.0,-51.71666507,-7.38809501,"{'tags': ['Samarium cuprate', 'Disamarium copper oxide', 'Disamarium copper tetraoxide']}",-51.71666507,-7.38809501,-3.0194917299999995,"['xas', 'elasticity', 'bandstructure']",True,"[261378, 72243, 71182, 95371, 261377]",True,2021-05-12 10:56:20.740000,NM,7,8,mp-4210,oxide,Sm2CuO4,"{'functional': 'PBE', 'labels': ['Sm_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sm': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-4210,"['mp-660482', 'mp-670158', 'mp-4210', 'mp-1412888', 'mp-1702500', 'mp-1798108', 'mp-1589420', 'mp-688388']",0.0004776,"{'Sm': 2.0, 'Cu': 1.0, 'O': 4.0}",93.8732216032902,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",5.087712894507291e-06,0.0004776,0,0.0004776,MP,data/source/MP/cleaned/cifs/MP-mp-4210.cif,True,,data/final/MP/graphs/Ce0.13Cu1Sm1.87O4-MP-mp-4210-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba2Cu3Pr0.5Sm0.5O7,1,0.0,2.0,False,Ba4Cu6Pr1Sm1O14,Ba4Cu6Pr1Sm1O14,0.0,Cuprate,True,Ba15.385Cu23.077Pr3.846Sm3.846O53.84615384615385,Ba-Cu-Pr-Sm-O,5,Supercon,Sm0.5Pr0.5Ba2Cu3O7,MP-mp-1228206,Ba4Pr1Sm1Cu6O14,Ba-Cu-Pr-Sm-O,Ba15.385Cu23.077Pr3.846Sm3.846O53.84615384615385,P m m m,orthorhombic,3.888344,3.959624,23.869185,data/final/MP/cifs/Ba2Cu3Pr0.5Sm0.5O7-MP-mp-1228206.cif,data/source/MP/raw/cifs/mp-1228206.cif,mp-1228206,0.0,,2019-01-13 03:56:47.619000,6.533021554078717,,,,0.0261744377083257,3.15752175,520.0,-157.49644311,-6.057555504230769,{'tags': []},-157.49644311,-6.057555504230769,-2.156630016153846,[],False,[],True,2021-05-12 11:00:59.151000,NM,26,3,mp-1228206,oxide,Ba4PrSm(Cu3O7)2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pr_3', 'Sm_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 4.0, 'Pr': 1.0, 'Sm': 1.0, 'Cu': 6.0, 'O': 14.0}",GGA,mp-1228206,"['mp-1228206', 'mp-1347826', 'mp-1839617']",0.001173,"{'Ba': 4.0, 'Pr': 1.0, 'Sm': 1.0, 'Cu': 6.0, 'O': 14.0}",367.49904786491726,[],NM,False,47,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.191845004265598e-06,0.001173,0,0.001173,MP,data/source/MP/cleaned/cifs/MP-mp-1228206.cif,False,,data/final/MP/graphs/Ba2Cu3Pr0.5Sm0.5O7-MP-mp-1228206.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Rh0.36Se0.64,3,0.0533333333333332,12.0,False,Rh4.32Se7.68,Rh4Se8,6.0,Other,True,Rh36Se64,Rh-Se,2,Supercon,Rh0.36Se0.64,MP-mp-983,Rh4Se8,Rh-Se,Rh33.333Se66.667,P a -3,cubic,6.099805,6.099805,6.099805,data/final/MP/cifs/Rh0.36Se0.64-MP-mp-983-synth_doped.cif,data/source/MP/raw/cifs/mp-983.cif,mp-983,0.0,,2011-05-14 19:13:30,7.6332815701689585,10.17188/1316470,"@misc{osti_1316470,
    author = ""Persson, Kristin"",
    title = ""Materials Data on RhSe2 (SG:205) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1316470"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700335'}},0.033700524583339,6.11932593,520.0,-62.153365,-5.179447083333334,"{'tags': ['Rhenium selenide (1/2)', 'Rhodium selenide (1/2)', 'Rhodium perselenide (1/1)']}",-62.153365,-5.179447083333334,-0.7087368082291666,['bandstructure'],True,"[650276, 44868, 650283]",True,2021-05-12 10:59:09.988000,NM,12,8,mp-983,,RhSe2,"{'functional': 'PBE', 'labels': ['Rh_pv', 'Se'], 'pot_type': 'paw'}","{'Rh': 1.0, 'Se': 2.0}",GGA,mp-983,"['mp-942577', 'mp-921168', 'mp-983', 'mp-942969', 'mp-1417796', 'mp-1700335', 'mp-1871355', 'mp-1600224']",8.3475e-05,"{'Rh': 4.0, 'Se': 8.0}",226.95923284585007,[],NM,False,205,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.4711893224752998e-06,8.3475e-05,0,0.0003339,MP,data/source/MP/cleaned/cifs/MP-mp-983.cif,True,,data/final/MP/graphs/Rh0.36Se0.64-MP-mp-983-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,1,0,0,0,1.0,False
In1Pd2Zr1,1,0.0,1.0,True,In1Pd2Zr1,In1Pd2Zr1,2.645,Other,True,In25Pd50Zr25,In-Pd-Zr,3,Supercon,Zr1Pd2In1,MP-mp-977475,Zr1In1Pd2,In-Pd-Zr,In25Pd50Zr25,F m -3 m,cubic,4.69703033,4.69703033,4.69703033,data/final/MP/cifs/In1Pd2Zr1-MP-mp-977475.cif,data/source/MP/raw/cifs/mp-977475.cif,mp-977475,0.0,,2014-12-22 15:47:32,9.492611329225966,10.17188/1315755,"@misc{osti_1315755,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrInPd2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1315755"",
    place = ""United States"",
    year = ""2016"",
    month = ""8"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1764373'}},0.0,6.44884307,520.0,-24.43361351,-6.1084033775,{'tags': []},-24.43361351,-6.1084033775,-0.6936163825000001,"['xas', 'bandstructure']",True,[],True,2021-05-12 10:57:57.486000,NM,4,9,mp-977475,,ZrInPd2,"{'functional': 'PBE', 'labels': ['Zr_sv', 'In_d', 'Pd'], 'pot_type': 'paw'}","{'Zr': 1.0, 'In': 1.0, 'Pd': 2.0}",GGA,mp-977475,"['mp-978380', 'mp-1005532', 'mp-977475', 'mp-1005596', 'mp-1432166', 'mp-1764373', 'mp-1801259', 'mp-1010937', 'mp-1616079']",5.85e-05,"{'Zr': 1.0, 'In': 1.0, 'Pd': 2.0}",73.274876761678,[],NM,False,225,0,"[0, 0, 0, 0]",7.983636764107789e-07,5.85e-05,0,5.85e-05,MP,data/source/MP/cleaned/cifs/MP-mp-977475.cif,False,,data/final/MP/graphs/In1Pd2Zr1-MP-mp-977475.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
As1Fe1Sm0.89Th0.11O1,3,0.0549999999999999,2.0,False,As2Fe2Sm1.78Th0.22O2,As2Fe2Sm2O2,48.9,Ferrite,True,As25Fe25Sm22.25Th2.75O25,As-Fe-Sm-Th-O,5,Supercon,Sm0.89Th0.11Fe1As1O1,MP-mp-20349,Sm2Fe2As2O2,As-Fe-Sm-O,As25Fe25Sm25O25,P 4/n m m,tetragonal,4.026492,4.026492,9.046755,data/final/MP/cifs/As1Fe1Sm0.89Th0.11O1-MP-mp-20349-synth_doped.cif,data/source/MP/raw/cifs/mp-20349.cif,mp-20349,0.0,,2014-02-19 11:24:42,6.727802583283198,,,{'GGA+U': {'task_id': 'mp-1695938'}},0.3015723809374986,3.77685593,520.0,-52.73407138,-6.5917589225,{'tags': ['Samarium iron arsenic oxide (1/1/1/1)']},-52.73407138,-6.5917589225,-1.6285904237499995,"['xas', 'elasticity', 'bandstructure']",True,"[236652, 236653, 422002, 163457, 163458]",True,2021-05-12 10:56:16.728000,FM,8,10,mp-20349,oxide,SmFeAsO,"{'functional': 'PBE', 'labels': ['Sm_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sm': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-20349,"['mp-24944', 'mp-1078897', 'mp-1079866', 'mp-1173321', 'mp-20349', 'mp-1425472', 'mp-1695938', 'mp-1772503', 'mp-1789694', 'mp-1588381']",3.75729895,"{'Sm': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",146.67176231613362,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, -0.0, -0.0, -0.0, -0.0]",0.0512341147425717,3.75729895,2,7.5145979,MP,data/source/MP/cleaned/cifs/MP-mp-20349.cif,True,,data/final/MP/graphs/As1Fe1Sm0.89Th0.11O1-MP-mp-20349-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
C1Zr1,1,0.0,1.0,True,C1Zr1,C1Zr1,0.0,Other,True,C50Zr50,C-Zr,2,Supercon,C1Zr1,MP-mp-2795,Zr1C1,C-Zr,C50Zr50,F m -3 m,cubic,3.34061285,3.3406128499999994,3.3406128499999994,data/final/MP/cifs/C1Zr1-MP-mp-2795.cif,data/source/MP/raw/cifs/mp-2795.cif,mp-2795,0.0,,2011-05-12 17:50:39,6.502964049523044,10.17188/1202103,"@misc{osti_1202103,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrC (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1202103"",
    place = ""United States"",
    year = ""2015"",
    month = ""1"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688206'}},0.0,5.43569883,520.0,-19.38444116,-9.69222058,"{'tags': ['Zirconium carbide - B1', 'Zirconium carbide (1/1) - RS-type', 'Zirconium carbide', 'Zirconium carbide (1/1)', 'High pressure experimental phase', 'Zirconium carbide (1/1) - B1']}",-19.38444116,-9.69222058,-0.8049799150000005,"['xas', 'elasticity', 'bandstructure']",True,"[619173, 619150, 658333, 181788, 619159, 619153, 619149, 619172, 619162, 619147, 619148, 619174, 600759, 619178, 192041, 181141, 26954, 619169, 619163, 44495, 159874, 619152, 183161, 619151, 658395, 180599, 619160, 619158, 619171, 181093, 619157, 181092, 619179, 619166, 619154, 619177, 181094, 619155, 619175, 44730, 22264, 619156, 619170]",True,2021-05-12 10:56:18.721000,NM,2,17,mp-2795,,ZrC,"{'functional': 'PBE', 'labels': ['Zr_sv', 'C'], 'pot_type': 'paw'}","{'Zr': 1.0, 'C': 1.0}",GGA,mp-2795,"['mp-919927', 'mp-918924', 'mp-906065', 'mp-2795', 'mp-1058144', 'mp-1058101', 'mp-1058118', 'mp-1058922', 'mp-1058877', 'mp-1058891', 'mp-1440785', 'mp-1688206', 'mp-1792101', 'mp-1594715', 'mp-1596569', 'mp-1058141', 'mp-1058911']",1.09e-05,"{'Zr': 1.0, 'C': 1.0}",26.36109489046062,[],NM,False,225,0,"[0, 0]",4.1348813641061706e-07,1.09e-05,0,1.09e-05,MP,data/source/MP/cleaned/cifs/MP-mp-2795.cif,False,,data/final/MP/graphs/C1Zr1-MP-mp-2795.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
B2Ru1,1,0.0,2.0,False,B4Ru2,B4Ru2,0.8,Other,True,B66.667Ru33.333,B-Ru,2,Supercon,B2Ru1,MP-mp-1077,B4Ru2,B-Ru,B66.667Ru33.333,P m m n,orthorhombic,2.88311,4.055214,4.6668,data/final/MP/cifs/B2Ru1-MP-mp-1077.cif,data/source/MP/raw/cifs/mp-1077.cif,mp-1077,0.0,,2011-05-12 22:46:07,7.467945844068766,10.17188/1187350,"@misc{osti_1187350,
    author = ""Persson, Kristin"",
    title = ""Materials Data on B2Ru (SG:59) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187350"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1673039'}},0.0,8.3708582,520.0,-46.98180171,-7.830300285,"{'tags': ['Ruthenium diboride', 'Ruthenium boride (1/2)']}",-46.98180171,-7.830300285,-0.2859092194444438,"['xas', 'elasticity', 'bandstructure']",True,"[615356, 421524, 31871, 43317]",True,2021-05-12 10:56:10.715000,NM,6,8,mp-1077,,B2Ru,"{'functional': 'PBE', 'labels': ['B', 'Ru_pv'], 'pot_type': 'paw'}","{'B': 2.0, 'Ru': 1.0}",GGA,mp-1077,"['mp-909976', 'mp-925940', 'mp-925549', 'mp-1077', 'mp-1437569', 'mp-1673039', 'mp-1792119', 'mp-1587763']",0.0006327,"{'B': 4.0, 'Ru': 2.0}",54.56248971625808,[],NM,False,59,0,"[0, 0, 0, 0, 0, 0]",2.3191756948417743e-05,0.0006327,0,0.0012654,MP,data/source/MP/cleaned/cifs/MP-mp-1077.cif,False,,data/final/MP/graphs/B2Ru1-MP-mp-1077.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Gd0.029In1La2.971,2,0.0144999999999999,1.0,True,Gd0.029In1La2.971,In1La3,6.0,Other,True,Gd0.725In25La74.275,Gd-In-La,3,Supercon,La2.9706Gd0.0294In1,MP-mp-20909,La3In1,In-La,In25La75,P m -3 m,cubic,5.076766,5.076766,5.076766,data/final/MP/cifs/Gd0.029In1La2.971-MP-mp-20909-synth_doped.cif,data/source/MP/raw/cifs/mp-20909.cif,mp-20909,0.0,,2014-02-21 06:52:52,6.7455760598452565,10.17188/1196104,"@misc{osti_1196104,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La3In (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196104"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671685'}},0.0,8.16935076,520.0,-18.73796121,-4.6844903025,"{'tags': ['Indium lanthanum (1/3)', 'Lanthanum indium (3/1)']}",-18.73796121,-4.6844903025,-0.2945640412500001,"['xas', 'bandstructure']",True,"[639844, 51950, 639851, 639840, 603208, 107019]",True,2021-05-12 10:56:57.051000,NM,4,8,mp-20909,,La3In,"{'functional': 'PBE', 'labels': ['La', 'In_d'], 'pot_type': 'paw'}","{'La': 3.0, 'In': 1.0}",GGA,mp-20909,"['mp-906743', 'mp-921394', 'mp-920373', 'mp-20909', 'mp-1476042', 'mp-1671685', 'mp-1778647', 'mp-1590323']",0.0489742,"{'La': 3.0, 'In': 1.0}",130.84629766481785,[],NM,False,221,0,"[0, 0, 0, 0]",0.0003742880071811,0.0489742,0,0.0489742,MP,data/source/MP/cleaned/cifs/MP-mp-20909.cif,True,,data/final/MP/graphs/Gd0.029In1La2.971-MP-mp-20909-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Hf1Re2,1,0.0,4.0,False,Hf4Re8,Hf4Re8,5.203333333,Other,True,Hf33.333Re66.667,Hf-Re,2,Supercon,Hf1Re2,MP-mp-1689,Hf4Re8,Hf-Re,Hf33.333Re66.667,P 63/m m c,hexagonal,5.283385998040723,5.28338557,8.647385,data/final/MP/cifs/Hf1Re2-MP-mp-1689.cif,data/source/MP/raw/cifs/mp-1689.cif,mp-1689,0.0,,2011-05-15 22:45:33,17.504308243222415,10.17188/1192223,"@misc{osti_1192223,
    author = ""Persson, Kristin"",
    title = ""Materials Data on HfRe2 (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1192223"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703799'}},0.0,6.44441229,520.0,-144.14207415,-12.011839512500002,{'tags': ['Hafnium rhenium (1/2)']},-144.14207415,-12.011839512500002,-0.396425105833335,"['xas', 'elasticity', 'bandstructure']",True,"[638810, 150734, 638807, 150512]",True,2021-05-12 10:56:14.760000,NM,12,10,mp-1689,,HfRe2,"{'functional': 'PBE', 'labels': ['Hf_pv', 'Re_pv'], 'pot_type': 'paw'}","{'Hf': 1.0, 'Re': 2.0}",GGA,mp-1689,"['mp-914503', 'mp-977907', 'mp-1689', 'mp-1101805', 'mp-1102828', 'mp-1504345', 'mp-1703799', 'mp-1827264', 'mp-992503', 'mp-1602147']",0.00054065,"{'Hf': 4.0, 'Re': 8.0}",209.0451336288395,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.0345134385379694e-05,0.00054065,0,0.0021626,MP,data/source/MP/cleaned/cifs/MP-mp-1689.cif,False,,data/final/MP/graphs/Hf1Re2-MP-mp-1689.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Rh1Te1,1,0.0,2.0,False,Rh2Te2,Rh2Te2,0.0,Other,True,Rh50Te50,Rh-Te,2,Supercon,Rh1Te1,MP-mp-1628,Te2Rh2,Rh-Te,Rh50Te50,P 63/m m c,hexagonal,4.064911998538486,4.06491195,5.713351,data/final/MP/cifs/Rh1Te1-MP-mp-1628.cif,data/source/MP/raw/cifs/mp-1628.cif,mp-1628,0.0,,2011-05-12 23:30:31,9.36346429359406,10.17188/1191753,"@misc{osti_1191753,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TeRh (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191753"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697794'}},0.2070099018750006,8.29799994,520.0,-22.26326129,-5.5658153225,{'tags': ['Rhodium telluride (1/1)']},-22.26326129,-5.5658153225,-0.3120109224999998,"['xas', 'elasticity', 'bandstructure']",True,"[52084, 26617]",True,2021-05-12 10:56:12.755000,NM,4,8,mp-1628,,TeRh,"{'functional': 'PBE', 'labels': ['Te', 'Rh_pv'], 'pot_type': 'paw'}","{'Te': 1.0, 'Rh': 1.0}",GGA,mp-1628,"['mp-927140', 'mp-926610', 'mp-911017', 'mp-1628', 'mp-1441564', 'mp-1697794', 'mp-1800416', 'mp-1593261']",2.55e-06,"{'Te': 2.0, 'Rh': 2.0}",81.75678911447994,[],NM,False,194,0,"[0, 0, 0, 0]",6.238014060041823e-08,2.55e-06,0,5.1e-06,MP,data/source/MP/cleaned/cifs/MP-mp-1628.cif,False,,data/final/MP/graphs/Rh1Te1-MP-mp-1628.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ca1Pb3,1,0.0,1.0,True,Ca1Pb3,Ca1Pb3,0.65,Other,True,Ca25Pb75,Ca-Pb,2,Supercon,Ca1Pb3,MP-mp-20549,Ca1Pb3,Ca-Pb,Ca25Pb75,P m -3 m,cubic,4.962693,4.962693,4.962693,data/final/MP/cifs/Ca1Pb3-MP-mp-20549.cif,data/source/MP/raw/cifs/mp-20549.cif,mp-20549,0.0,,2014-02-21 08:47:14,8.989666135760892,10.17188/1195680,"@misc{osti_1195680,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CaPb3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195680"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671057'}},0.0,6.44868108,520.0,-14.30487352,-3.57621838,{'tags': ['Calcium lead (1/3)']},-14.30487352,-3.57621838,-0.2903331074999995,"['xas', 'elasticity', 'bandstructure']",True,"[58919, 619485, 191274, 619486, 108201]",True,2021-05-12 10:56:14.760000,NM,4,12,mp-20549,,CaPb3,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Pb_d'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Pb': 3.0}",GGA,mp-20549,"['mp-912142', 'mp-928210', 'mp-928745', 'mp-20549', 'mp-1066048', 'mp-1066055', 'mp-1066083', 'mp-1439602', 'mp-1671057', 'mp-1789692', 'mp-1592650', 'mp-1066108']",0.0007553,"{'Ca': 1.0, 'Pb': 3.0}",122.2228002593954,[],NM,False,221,0,"[0, 0, 0, 0]",6.1796980464939e-06,0.0007553,0,0.0007553,MP,data/source/MP/cleaned/cifs/MP-mp-20549.cif,False,,data/final/MP/graphs/Ca1Pb3-MP-mp-20549.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cd0.7Mg0.3,3,0.1,8.0,False,Cd5.6Mg2.4,Cd6Mg2,0.105,Other,True,Cd70Mg30,Cd-Mg,2,Supercon,Cd0.7Mg0.3,MP-mp-30491,Mg2Cd6,Cd-Mg,Cd75Mg25,P 63/m m c,hexagonal,5.042172,6.357332004789613,6.35733286,data/final/MP/cifs/Cd0.7Mg0.3-MP-mp-30491-synth_doped.cif,data/source/MP/raw/cifs/mp-30491.cif,mp-30491,0.0,,2014-02-19 18:30:20,6.80353923825999,10.17188/1204895,"@misc{osti_1204895,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MgCd3 (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204895"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687916'}},0.0,3.1305682,520.0,-9.29627799,-1.16203474875,{'tags': ['Cadmium magnesium (3/1)']},-9.29627799,-1.16203474875,-0.0697974162499999,"['xas', 'elasticity', 'bandstructure']",True,[102027],True,2021-05-12 10:56:18.721000,NM,8,7,mp-30491,,MgCd3,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Cd'], 'pot_type': 'paw'}","{'Mg': 1.0, 'Cd': 3.0}",GGA,mp-30491,"['mp-928221', 'mp-928777', 'mp-912212', 'mp-30491', 'mp-1413694', 'mp-1687916', 'mp-1828231']",0.00074825,"{'Mg': 2.0, 'Cd': 6.0}",176.4810790490775,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",8.479662568154628e-06,0.00074825,0,0.0014965,MP,data/source/MP/cleaned/cifs/MP-mp-30491.cif,True,,data/final/MP/graphs/Cd0.7Mg0.3-MP-mp-30491-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
B2C1Dy0.75Lu0.25Ni2,3,0.0833333333333333,1.0,True,B2C1Dy0.75Lu0.25Ni2,B2C1Dy1Ni2,0.0,Other,True,B33.333C16.667Dy12.5Lu4.167Ni33.333,B-C-Dy-Lu-Ni,5,Supercon,Lu0.25Dy0.75Ni2B2C1,MP-mp-6223,Dy1Ni2B2C1,B-C-Dy-Ni,B33.333C16.667Dy16.667Ni33.333,I 4/m m m,tetragonal,3.5485979995620824,3.548597999562083,5.74460959,data/final/MP/cifs/B2C1Dy0.75Lu0.25Ni2-MP-mp-6223-synth_doped.cif,data/source/MP/raw/cifs/mp-6223.cif,mp-6223,0.0,,2011-05-13 04:15:09,8.00036369104547,10.17188/1278123,"@misc{osti_1278123,
    author = ""Persson, Kristin"",
    title = ""Materials Data on DyNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278123"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687390'}},0.0,6.75219219,520.0,-41.84976027,-6.974960045,{'tags': []},-41.84976027,-6.974960045,-0.5161893047222215,"['xas', 'elasticity', 'bandstructure']",True,"[56596, 56593, 56595, 79573, 56649, 56594]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6223,,DyNi2B2C,"{'functional': 'PBE', 'labels': ['Dy_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Dy': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6223,"['mp-1007344', 'mp-1000899', 'mp-6223', 'mp-1439353', 'mp-1687390', 'mp-1795426', 'mp-1012086', 'mp-1593735']",0.004911,"{'Dy': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",65.07346390684725,[],NM,False,139,0,"[0.0, -0.0, -0.0, 0.0, 0.0, 0.0]",7.546855054512086e-05,0.004911,0,0.004911,MP,data/source/MP/cleaned/cifs/MP-mp-6223.cif,True,,data/final/MP/graphs/B2C1Dy0.75Lu0.25Ni2-MP-mp-6223-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
C2Nd1,3,0.1333333333333334,6.0,False,C12Nd6,C12Nd8,0.0,Carbon,True,C66.667Nd33.333,C-Nd,2,Supercon,C2Nd1,MP-mp-1800,Nd8C12,C-Nd,C60Nd40,I -4 3 d,cubic,7.462371161654291,7.462371160000001,7.46237116,data/final/MP/cifs/C2Nd1-MP-mp-1800-synth_doped.cif,data/source/MP/raw/cifs/mp-1800.cif,mp-1800,0.0,,2011-05-15 19:37:39,6.738088161763935,10.17188/1192827,"@misc{osti_1192827,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nd2C3 (SG:220) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1192827"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1708620'}},0.0,5.07657223,520.0,-152.21366808,-7.610683403999999,{'tags': ['Neodymium carbide (2/3)']},-152.21366808,-7.610683403999999,-0.1673576999999994,"['xas', 'bandstructure']",True,"[2447, 2446, 618524, 602772]",True,2021-05-12 10:56:55.092000,NM,20,8,mp-1800,,Nd2C3,"{'functional': 'PBE', 'labels': ['Nd_3', 'C'], 'pot_type': 'paw'}","{'Nd': 2.0, 'C': 3.0}",GGA,mp-1800,"['mp-926115', 'mp-925695', 'mp-910222', 'mp-1800', 'mp-1432385', 'mp-1708620', 'mp-1809343', 'mp-1603553']",0.00267555,"{'Nd': 8.0, 'C': 12.0}",319.8958807624763,[],NM,False,220,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.345526042564586e-05,0.00267555,0,0.0107022,MP,data/source/MP/cleaned/cifs/MP-mp-1800.cif,True,,data/final/MP/graphs/C2Nd1-MP-mp-1800-synth_doped.json,0,True,-43m,5,0,0,0,0,0,0,0,0,1,0,1.0,False
Bi1.7Ca1Cu2Pb0.3Sr2O8,3,0.04,2.0,False,Bi3.4Ca2Cu4Pb0.6Sr4O16,Bi4Ca2Cu4Sr4O16,80.5,Cuprate,True,Bi11.333Ca6.667Cu13.333Pb2Sr13.333O53.333333333333336,Bi-Ca-Cu-Pb-Sr-O,6,Supercon,Bi1.7Pb0.3Sr2Ca1Cu2O8,MP-mp-1218930,Sr4Ca2Cu4Bi4O16,Bi-Ca-Cu-Sr-O,Bi13.333Ca6.667Cu13.333Sr13.333O53.333333333333336,C c c 2,orthorhombic,5.417115,5.472898000129128,16.11398919,data/final/MP/cifs/Bi1.7Ca1Cu2Pb0.3Sr2O8-MP-mp-1218930-synth_doped.cif,data/source/MP/raw/cifs/mp-1218930.cif,mp-1218930,0.0,,2019-01-12 20:01:06.544000,6.266668983881059,,,,0.039252223722225,4.51768334,520.0,-173.15021002,-5.771673667333333,{'tags': []},-173.15021002,-5.771673667333333,-2.074956548222222,[],False,[],True,2021-05-12 11:00:42.526000,NM,30,3,mp-1218930,oxide,Sr2CaCu2(BiO4)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'O': 8.0}",GGA,mp-1218930,"['mp-1218930', 'mp-1359698', 'mp-1817714']",0.00011165,"{'Sr': 4.0, 'Ca': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'O': 16.0}",470.7976286073367,[],NM,False,37,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.743014544498498e-07,0.00011165,0,0.0002233,MP,data/source/MP/cleaned/cifs/MP-mp-1218930.cif,True,,data/final/MP/graphs/Bi1.7Ca1Cu2Pb0.3Sr2O8-MP-mp-1218930-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
As2Co0.24Fe1.76Sr1,3,0.096,1.0,True,As2Co0.24Fe1.76Sr1,As2Fe2Sr1,13.5,Ferrite,True,As40Co4.8Fe35.2Sr20,As-Co-Fe-Sr,4,Supercon,Sr1Fe1.76Co0.24As2,MP-mp-4488,Sr1Fe2As2,As-Fe-Sr,As40Fe40Sr20,I 4/m m m,tetragonal,3.9729799997357778,3.9729799997357778,6.45523327,data/final/MP/cifs/As2Co0.24Fe1.76Sr1-MP-mp-4488-synth_doped.cif,data/source/MP/raw/cifs/mp-4488.cif,mp-4488,0.0,,2011-05-13 03:37:13,6.319998834487784,10.17188/1208187,"@misc{osti_1208187,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208187"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672865'}},0.0,5.13397273,520.0,-30.61898897,-6.123797794,"{'tags': ['Strontium diiron arsenide - HT', 'Strontium diiron arsenide', 'Strontium diiron diarsenide', 'Iron strontium arsenide (2/1/2)', 'Strontium diiron arsenide - LT']}",-30.61898897,-6.123797794,-0.5342483613333335,"['xas', 'elasticity', 'bandstructure']",True,"[182330, 181993, 610527, 163209, 163208, 163869]",True,2021-05-12 10:56:20.740000,NM,5,8,mp-4488,,Sr(FeAs)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-4488,"['mp-906356', 'mp-920135', 'mp-919110', 'mp-4488', 'mp-1439153', 'mp-1672865', 'mp-1873948', 'mp-1592272']",0.0029206,"{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",91.7377588211838,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",3.183640016422098e-05,0.0029206,0,0.0029206,MP,data/source/MP/cleaned/cifs/MP-mp-4488.cif,True,,data/final/MP/graphs/As2Co0.24Fe1.76Sr1-MP-mp-4488-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
La7Rh3,1,0.0,2.0,False,La14Rh6,La14Rh6,2.59,Other,True,La70Rh30,La-Rh,2,Supercon,La7Rh3,MP-mp-1189031,La14Rh6,La-Rh,La70Rh30,P 63 m c,hexagonal,6.488204,10.315863251819886,10.315863749999998,data/final/MP/cifs/La7Rh3-MP-mp-1189031.cif,data/source/MP/raw/cifs/mp-1189031.cif,mp-1189031,0.0,,2019-01-11 19:53:20.729000,7.115091833743528,,,,0.0,7.80711097,520.0,-124.08140086,-6.204070043,"{'tags': ['Th7Fe3', 'Lanthanum rhodium (7/3)', 'La7Rh3']}",-124.08140086,-6.204070043,-0.5395727085000004,[],False,"[641726, 656946]",True,2021-05-12 10:59:54.607000,NM,20,3,mp-1189031,,La7Rh3,"{'functional': 'PBE', 'labels': ['La', 'Rh_pv'], 'pot_type': 'paw'}","{'La': 7.0, 'Rh': 3.0}",GGA,mp-1189031,"['mp-1189031', 'mp-1890174', 'mp-1981395']",0.01040315,"{'La': 14.0, 'Rh': 6.0}",597.9519519794685,[],NM,False,186,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.479593959200657e-05,0.01040315,0,0.0208063,MP,data/source/MP/cleaned/cifs/MP-mp-1189031.cif,False,,data/final/MP/graphs/La7Rh3-MP-mp-1189031.json,0,True,6mm,0,5,0,0,0,0,0,1,0,0,0,1.0,False
Cs0.23W1O3,2,0.045099108928896,3.0,False,Cs0.69W3O9,Cs1W3O9,6.0,Oxide,True,Cs5.437W23.641O70.92198581560282,Cs-W-O,3,Supercon,Cs0.23W1O3,MP-mp-753119,Cs1W3O9,Cs-W-O,Cs7.692W23.077O69.23076923076923,P 6/m m m,hexagonal,3.887459,7.544746001131922,7.54474626,data/final/MP/cifs/Cs0.23W1O3-MP-mp-753119-synth_doped.cif,data/source/MP/raw/cifs/mp-753119.cif,mp-753119,0.0,,2014-02-13 20:26:51,7.178173970651413,,,{'GGA+U': {'task_id': 'mp-1729896'}},0.0,3.52433864,520.0,-94.0038219,-7.231063223076924,{'tags': []},-94.0038219,-7.231063223076924,-2.24610700561008,['bandstructure'],True,[],True,2021-05-12 10:58:57.544000,FM,13,8,mp-753119,oxide,Cs(WO3)3,"{'functional': 'PBE', 'labels': ['Cs_sv', 'W_pv', 'O'], 'pot_type': 'paw'}","{'Cs': 1.0, 'W': 3.0, 'O': 9.0}",GGA+U,mp-753119,"['mp-763713', 'mp-880554', 'mp-894582', 'mp-753119', 'mp-1400201', 'mp-1729896', 'mp-1882816', 'mp-895340']",0.8712151,"{'Cs': 1.0, 'W': 3.0, 'O': 9.0}",191.6398049642021,[],FM,True,65,1,"[0.0, 0.3, 0.4, 0.4, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0045461072148489,0.8712151,3,0.8712151,MP,data/source/MP/cleaned/cifs/MP-mp-753119.cif,True,,data/final/MP/graphs/Cs0.23W1O3-MP-mp-753119-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
B2Ru1Tb1,1,0.0,4.0,False,B8Ru4Tb4,B8Ru4Tb4,0.0,Other,True,B50Ru25Tb25,B-Ru-Tb,3,Supercon,Tb1Ru1B2,MP-mp-1188601,Tb4B8Ru4,B-Ru-Tb,B50Ru25Tb25,P n m a,orthorhombic,5.351736,5.939618,6.370298,data/final/MP/cifs/B2Ru1Tb1-MP-mp-1188601.cif,data/source/MP/raw/cifs/mp-1188601.cif,mp-1188601,0.0,,2019-01-11 19:33:57.777000,9.237523388811177,,,{'GGA': {'task_id': 'mp-1670165'}},0.0,6.10177827,520.0,-118.48069792,-7.40504362,"{'tags': ['TbRuB2', 'LuRuB2', 'Terbium ruthenium boride (1/1/2)']}",-118.48069792,-7.40504362,-0.5881587958333325,['bandstructure'],True,[615373],True,2021-05-12 10:58:33.577000,NM,16,5,mp-1188601,,TbB2Ru,"{'functional': 'PBE', 'labels': ['Tb_3', 'B', 'Ru_pv'], 'pot_type': 'paw'}","{'Tb': 1.0, 'B': 2.0, 'Ru': 1.0}",GGA,mp-1188601,"['mp-1188601', 'mp-1432971', 'mp-1670165', 'mp-1835641', 'mp-1599480']",0.00049495,"{'Tb': 4.0, 'B': 8.0, 'Ru': 4.0}",202.49436643322983,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",9.77706212213472e-06,0.00049495,0,0.0019798,MP,data/source/MP/cleaned/cifs/MP-mp-1188601.cif,False,,data/final/MP/graphs/B2Ru1Tb1-MP-mp-1188601.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ca1.7Cl2Cu1Na0.3O2,3,0.0857142857142857,1.0,True,Ca1.7Cl2Cu1Na0.3O2,Ca2Cl2Cu1O2,27.6,Cuprate,True,Ca24.286Cl28.571Cu14.286Na4.286O28.571428571428573,Ca-Cl-Cu-Na-O,5,Supercon,Ca1.7Na0.3Cu1Cl2O2,MP-mp-23143,Ca2Cu1Cl2O2,Ca-Cl-Cu-O,Ca28.571Cl28.571Cu14.286O28.571428571428573,I 4/m m m,tetragonal,3.88024600076171,3.880246000761709,8.12907187,data/final/MP/cifs/Ca1.7Cl2Cu1Na0.3O2-MP-mp-23143-synth_doped.cif,data/source/MP/raw/cifs/mp-23143.cif,mp-23143,0.0,,2014-02-21 09:50:06,3.554337150605878,10.17188/1199263,"@misc{osti_1199263,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ca2Cu(ClO)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199263"",
    place = ""United States"",
    year = ""2016"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700223'}},0.0191527683333321,4.19679796,520.0,-35.95348475,-5.136212107142858,"{'tags': ['Dicalcium copper dioxide dichloride', 'Dicalcium dichlorodioxocuprate']}",-35.95348475,-5.136212107142858,-2.407440427142858,"['xas', 'elasticity', 'bandstructure']",True,"[1027, 83117, 41581]",True,2021-05-12 10:56:16.728000,NM,7,8,mp-23143,oxide,Ca2Cu(ClO)2,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Cu_pv', 'Cl', 'O'], 'pot_type': 'paw'}","{'Ca': 2.0, 'Cu': 1.0, 'Cl': 2.0, 'O': 2.0}",GGA,mp-23143,"['mp-992231', 'mp-990553', 'mp-23143', 'mp-1436301', 'mp-1700223', 'mp-1803462', 'mp-993865', 'mp-1592909']",0.0134962,"{'Ca': 2.0, 'Cu': 1.0, 'Cl': 2.0, 'O': 2.0}",115.21141865211318,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001171429026557,0.0134962,0,0.0134962,MP,data/source/MP/cleaned/cifs/MP-mp-23143.cif,True,,data/final/MP/graphs/Ca1.7Cl2Cu1Na0.3O2-MP-mp-23143-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Bi2S3,1,0.0,4.0,False,Bi8S12,Bi8S12,0.0,Other,True,Bi40S60,Bi-S,2,Supercon,Bi2S3,MP-mp-22856,Bi8S12,Bi-S,Bi40S60,P n m a,orthorhombic,4.021421,11.170503,11.735325,data/final/MP/cifs/Bi2S3-MP-mp-22856.cif,data/source/MP/raw/cifs/mp-22856.cif,mp-22856,1.5027,,2013-09-27 14:44:58,6.478231082781669,10.17188/1199021,"@misc{osti_1199021,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Bi2S3 (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199021"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672034'}},0.0,4.10579537,520.0,-87.6009806,-4.38004903,"{'tags': ['Dibismuth trisulfide', 'Stibnite', 'Bismuthinite', 'High pressure experimental phase', 'Bismuth sulfide (2/3)', 'Bismuth sulfide']}",-87.6009806,-4.38004903,-0.6439653858749999,"['diel', 'xas', 'elasticity', 'bandstructure']",True,"[604448, 171570, 89324, 153949, 153951, 617021, 153953, 617019, 89325, 171863, 30775, 617018, 89323, 201066, 617028, 153947, 171864, 153950, 153946, 153952, 171865, 617027, 153948]",True,2021-05-12 10:56:16.728000,NM,20,9,mp-22856,,Bi2S3,"{'functional': 'PBE', 'labels': ['Bi', 'S'], 'pot_type': 'paw'}","{'Bi': 2.0, 'S': 3.0}",GGA,mp-22856,"['mp-682210', 'mp-666773', 'mp-22856', 'mp-1140946', 'mp-1299945', 'mp-1672034', 'mp-1825153', 'mp-1601770', 'mp-702247']",8.3375e-05,"{'Bi': 8.0, 'S': 12.0}",527.1660002917808,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.326280522936063e-07,8.3375e-05,0,0.0003335,MP,data/source/MP/cleaned/cifs/MP-mp-22856.cif,False,,data/final/MP/graphs/Bi2S3-MP-mp-22856.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Au1Pb2,1,0.0,2.0,False,Au2Pb4,Au2Pb4,3.76,Other,True,Au33.333Pb66.667,Au-Pb,2,Supercon,Au1Pb2,MP-mp-22795,Pb4Au2,Au-Pb,Au33.333Pb66.667,I 4/m c m,tetragonal,5.941429999099057,6.016016179246288,6.01601618,data/final/MP/cifs/Au1Pb2-MP-mp-22795.cif,data/source/MP/raw/cifs/mp-22795.cif,mp-22795,0.0,,2014-02-21 13:38:23,12.486990848231391,10.17188/1198985,"@misc{osti_1198985,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Pb2Au (SG:140) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198985"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696987'}},0.0,6.45520938,520.0,-21.88352838,-3.64725473,"{'tags': ['Gold lead (1/2)', 'Gold plumbide (1/2)', 'Anyuiite']}",-21.88352838,-3.64725473,-0.0808628366666669,"['xas', 'elasticity', 'bandstructure']",True,"[56272, 656168, 612238, 150949, 612245]",True,2021-05-12 10:56:16.728000,NM,6,10,mp-22795,,Pb2Au,"{'functional': 'PBE', 'labels': ['Pb_d', 'Au'], 'pot_type': 'paw'}","{'Pb': 2.0, 'Au': 1.0}",GGA,mp-22795,"['mp-905470', 'mp-918608', 'mp-919596', 'mp-22795', 'mp-1077092', 'mp-1077195', 'mp-1441887', 'mp-1696987', 'mp-1785544', 'mp-1589581']",0.00046445,"{'Pb': 4.0, 'Au': 2.0}",162.60091549302177,[],NM,False,140,0,"[0, 0, 0, 0, 0, 0]",5.712759963149561e-06,0.00046445,0,0.0009289,MP,data/source/MP/cleaned/cifs/MP-mp-22795.cif,False,,data/final/MP/graphs/Au1Pb2-MP-mp-22795.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Al0.1B0.9Li2Pd3,2,0.0333333333333333,4.0,False,Al0.4B3.6Li8Pd12,B4Li8Pd12,7.49,Other,True,Al1.667B15Li33.333Pd50,Al-B-Li-Pd,4,Supercon,Li2Pd3B0.9Al0.1,MP-mp-20657,Li8B4Pd12,B-Li-Pd,B16.667Li33.333Pd50,P 43 3 2,cubic,6.834153,6.834153,6.834153,data/final/MP/cifs/Al0.1B0.9Li2Pd3-MP-mp-20657-synth_doped.cif,data/source/MP/raw/cifs/mp-20657.cif,mp-20657,0.0,,2014-02-22 22:20:25,7.157380380013985,10.17188/1195787,"@misc{osti_1195787,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Li2BPd3 (SG:212) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195787"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672514'}},0.0,3.54739631,520.0,-115.20693246,-4.8002888525000005,{'tags': ['Lithium palladium boride (2/3/1)']},-115.20693246,-4.8002888525000005,-0.4608083634722219,"['xas', 'bandstructure']",True,"[156465, 246447, 84931]",True,2021-05-12 10:56:57.051000,NM,24,9,mp-20657,,Li2BPd3,"{'functional': 'PBE', 'labels': ['Li_sv', 'B', 'Pd'], 'pot_type': 'paw'}","{'Li': 2.0, 'B': 1.0, 'Pd': 3.0}",GGA,mp-20657,"['mp-921382', 'mp-906713', 'mp-920352', 'mp-20657', 'mp-1116014', 'mp-1415525', 'mp-1672514', 'mp-1806936', 'mp-1654311']",4.895e-05,"{'Li': 8.0, 'B': 4.0, 'Pd': 12.0}",319.1935391161389,[],NM,False,212,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.134209374731673e-07,4.895e-05,0,0.0001958,MP,data/source/MP/cleaned/cifs/MP-mp-20657.cif,True,,data/final/MP/graphs/Al0.1B0.9Li2Pd3-MP-mp-20657-synth_doped.json,0,True,432,4,0,0,0,0,0,0,1,0,0,0,1.0,False
As1Pd5,1,0.0,2.0,False,As2Pd10,As2Pd10,0.46,Other,True,As16.667Pd83.333,As-Pd,2,Supercon,As1Pd5,MP-mp-2512,As2Pd10,As-Pd,As16.667Pd83.333,C 1 2/m 1,monoclinic,4.82103153,4.82103153,8.59702924,data/final/MP/cifs/As1Pd5-MP-mp-2512.cif,data/source/MP/raw/cifs/mp-2512.cif,mp-2512,0.0,,2011-05-15 02:51:50,10.778529454713093,10.17188/1200507,"@misc{osti_1200507,
    author = ""Persson, Kristin"",
    title = ""Materials Data on AsPd5 (SG:12) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200507"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696772'}},0.0,5.24349297,520.0,-64.35730086,-5.363108404999999,{'tags': ['Palladium arsenide (5/1)']},-64.35730086,-5.363108404999999,-0.2700204958333323,"['xas', 'elasticity', 'bandstructure']",True,[239291],True,2021-05-12 10:56:16.728000,NM,12,11,mp-2512,,AsPd5,"{'functional': 'PBE', 'labels': ['As', 'Pd'], 'pot_type': 'paw'}","{'As': 1.0, 'Pd': 5.0}",GGA,mp-2512,"['mp-942551', 'mp-921099', 'mp-942924', 'mp-2512', 'mp-1095211', 'mp-1095644', 'mp-1101758', 'mp-1430219', 'mp-1696772', 'mp-1835246', 'mp-1601852']",0.00149465,"{'As': 2.0, 'Pd': 10.0}",187.035362347928,[],NM,False,12,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.5982539143796926e-05,0.00149465,0,0.0029893,MP,data/source/MP/cleaned/cifs/MP-mp-2512.cif,False,,data/final/MP/graphs/As1Pd5-MP-mp-2512.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
B2Ru3Yb1,1,0.0,1.0,True,B2Ru3Yb1,B2Ru3Yb1,0.0,Heavy_fermion,True,B33.333Ru50Yb16.667,B-Ru-Yb,3,Supercon,Yb1Ru3B2,MP-mp-3268,Yb1B2Ru3,B-Ru-Yb,B33.333Ru50Yb16.667,P 6/m m m,hexagonal,2.94844,5.563339996832453,5.56333933,data/final/MP/cifs/B2Ru3Yb1-MP-mp-3268.cif,data/source/MP/raw/cifs/mp-3268.cif,mp-3268,0.0,,2011-05-13 06:29:53,10.460988833160023,10.17188/1206345,"@misc{osti_1206345,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YbB2Ru3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1206345"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1695685'}},0.0,5.71169314,520.0,-44.86022506,-7.476704176666666,{'tags': ['Ruthenium ytterbium boride (3/1/2)']},-44.86022506,-7.476704176666666,-0.3564440455555543,"['xas', 'bandstructure']",True,"[44583, 615410]",True,2021-05-12 10:57:06.958000,NM,6,8,mp-3268,,YbB2Ru3,"{'functional': 'PBE', 'labels': ['Yb_2', 'B', 'Ru_pv'], 'pot_type': 'paw'}","{'Yb': 1.0, 'B': 2.0, 'Ru': 3.0}",GGA,mp-3268,"['mp-926173', 'mp-910322', 'mp-926705', 'mp-3268', 'mp-1441764', 'mp-1695685', 'mp-1799983', 'mp-1594728']",0.0018066,"{'Yb': 1.0, 'B': 2.0, 'Ru': 3.0}",79.03037842327349,[],NM,False,191,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.2859564082107168e-05,0.0018066,0,0.0018066,MP,data/source/MP/cleaned/cifs/MP-mp-3268.cif,False,,data/final/MP/graphs/B2Ru3Yb1-MP-mp-3268.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Tl2O3,1,0.0,8.0,False,Tl16O24,Tl16O24,0.0,Oxide,True,Tl40O60,Tl-O,2,Supercon,O3Tl2,MP-mp-1658,Tl16O24,Tl-O,Tl40O60,I a -3,cubic,9.33077767206849,9.33077767,9.33077767,data/final/MP/cifs/Tl2O3-MP-mp-1658.cif,data/source/MP/raw/cifs/mp-1658.cif,mp-1658,0.0310000000000001,,2011-05-25 06:58:49,9.702867017231164,10.17188/1192040,"@misc{osti_1192040,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Tl2O3 (SG:206) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1192040"",
    place = ""United States"",
    year = ""2015"",
    month = ""1"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1724477'}},0.0,3.7723753,520.0,-184.22411028,-4.605602757,"{'tags': ['Dithallium trioxide', 'Thallium oxide (2/3)', 'Dithallium(III) oxide', 'Avicennite', 'Thallium(III) oxide']}",-184.22411028,-4.605602757,-1.1039688953333333,"['xas', 'elasticity', 'bandstructure']",True,"[193329, 647576, 27988, 33660, 26813, 74090, 413878, 647575]",True,2021-05-12 10:56:14.760000,NM,40,11,mp-1658,oxide,Tl2O3,"{'functional': 'PBE', 'labels': ['Tl_d', 'O'], 'pot_type': 'paw'}","{'Tl': 2.0, 'O': 3.0}",GGA,mp-1658,"['mp-906438', 'mp-920191', 'mp-919152', 'mp-1658', 'mp-1972', 'mp-1195663', 'mp-1196897', 'mp-1197325', 'mp-1409737', 'mp-1724477', 'mp-1870347']",5.08e-05,"{'Tl': 16.0, 'O': 24.0}",625.3622095826074,[],NM,False,206,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.498633812095044e-07,5.08e-05,0,0.0004064,MP,data/source/MP/cleaned/cifs/MP-mp-1658.cif,False,,data/final/MP/graphs/Tl2O3-MP-mp-1658.json,0,True,m-3,2,0,0,0,0,0,0,0,0,1,0,1.0,False
Au2In1Sc1,1,0.0,1.0,True,Au2In1Sc1,Au2In1Sc1,3.02,Other,True,Au50In25Sc25,Au-In-Sc,3,Supercon,In1Sc1Au2,MP-mp-30395,Sc1In1Au2,Au-In-Sc,Au50In25Sc25,F m -3 m,cubic,4.81427429,4.81427429,4.81427429,data/final/MP/cifs/Au2In1Sc1-MP-mp-30395.cif,data/source/MP/raw/cifs/mp-30395.cif,mp-30395,0.0,,2014-02-19 17:30:49,11.653373239154485,10.17188/1204806,"@misc{osti_1204806,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ScInAu2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204806"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698336'}},0.0,6.53150976,520.0,-18.14280191,-4.5357004775,{'tags': ['Gold indium scandium (2/1/1)']},-18.14280191,-4.5357004775,-0.6277214987499997,"['xas', 'elasticity', 'bandstructure']",True,[58504],True,2021-05-12 10:56:18.721000,NM,4,8,mp-30395,,ScInAu2,"{'functional': 'PBE', 'labels': ['Sc_sv', 'In_d', 'Au'], 'pot_type': 'paw'}","{'Sc': 1.0, 'In': 1.0, 'Au': 2.0}",GGA,mp-30395,"['mp-932766', 'mp-941025', 'mp-940875', 'mp-30395', 'mp-1441621', 'mp-1698336', 'mp-1800596', 'mp-1594591']",0.0002729,"{'Sc': 1.0, 'In': 1.0, 'Au': 2.0}",78.90008919370634,[],NM,False,225,0,"[0, 0, 0, 0]",3.458804708445989e-06,0.0002729,0,0.0002729,MP,data/source/MP/cleaned/cifs/MP-mp-30395.cif,False,,data/final/MP/graphs/Au2In1Sc1-MP-mp-30395.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Al0.05B0.95Li2Pd3,2,0.0166666666666666,4.0,False,Al0.2B3.8Li8Pd12,B4Li8Pd12,7.75,Other,True,Al0.833B15.833Li33.333Pd50,Al-B-Li-Pd,4,Supercon,Li2Pd3B0.95Al0.05,MP-mp-20657,Li8B4Pd12,B-Li-Pd,B16.667Li33.333Pd50,P 43 3 2,cubic,6.834153,6.834153,6.834153,data/final/MP/cifs/Al0.05B0.95Li2Pd3-MP-mp-20657-synth_doped.cif,data/source/MP/raw/cifs/mp-20657.cif,mp-20657,0.0,,2014-02-22 22:20:25,7.157380380013985,10.17188/1195787,"@misc{osti_1195787,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Li2BPd3 (SG:212) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195787"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672514'}},0.0,3.54739631,520.0,-115.20693246,-4.8002888525000005,{'tags': ['Lithium palladium boride (2/3/1)']},-115.20693246,-4.8002888525000005,-0.4608083634722219,"['xas', 'bandstructure']",True,"[156465, 246447, 84931]",True,2021-05-12 10:56:57.051000,NM,24,9,mp-20657,,Li2BPd3,"{'functional': 'PBE', 'labels': ['Li_sv', 'B', 'Pd'], 'pot_type': 'paw'}","{'Li': 2.0, 'B': 1.0, 'Pd': 3.0}",GGA,mp-20657,"['mp-921382', 'mp-906713', 'mp-920352', 'mp-20657', 'mp-1116014', 'mp-1415525', 'mp-1672514', 'mp-1806936', 'mp-1654311']",4.895e-05,"{'Li': 8.0, 'B': 4.0, 'Pd': 12.0}",319.1935391161389,[],NM,False,212,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.134209374731673e-07,4.895e-05,0,0.0001958,MP,data/source/MP/cleaned/cifs/MP-mp-20657.cif,True,,data/final/MP/graphs/Al0.05B0.95Li2Pd3-MP-mp-20657-synth_doped.json,0,True,432,4,0,0,0,0,0,0,1,0,0,0,1.0,False
Se3Ta1,1,0.0,4.0,False,Se12Ta4,Se12Ta4,2.05,Other,True,Se75Ta25,Se-Ta,2,Supercon,Ta1Se3,MP-mp-29652,Ta4Se12,Se-Ta,Se75Ta25,P 1 21/m 1,monoclinic,3.519161,10.374565,10.896543,data/final/MP/cifs/Se3Ta1-MP-mp-29652.cif,data/source/MP/raw/cifs/mp-29652.cif,mp-29652,0.0,,2014-02-25 23:43:14,7.391898806867365,10.17188/1204137,"@misc{osti_1204137,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TaSe3 (SG:11) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204137"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668071'}},0.0,3.88683469,520.0,-99.83499269,-6.239687043125,{'tags': ['Tantalum selenide (1/3)']},-99.83499269,-6.239687043125,-1.0073090273828127,"['xas', 'elasticity', 'bandstructure']",True,"[651965, 43243, 43213]",True,2021-05-12 10:56:18.721000,NM,16,10,mp-29652,,TaSe3,"{'functional': 'PBE', 'labels': ['Ta_pv', 'Se'], 'pot_type': 'paw'}","{'Ta': 1.0, 'Se': 3.0}",GGA,mp-29652,"['mp-925507', 'mp-925930', 'mp-909960', 'mp-29652', 'mp-505529', 'mp-1106234', 'mp-1416726', 'mp-1668071', 'mp-1836181', 'mp-1603244']",1.185e-05,"{'Ta': 4.0, 'Se': 12.0}",375.4486017639046,[],NM,False,11,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.2624897196928916e-07,1.185e-05,0,4.74e-05,MP,data/source/MP/cleaned/cifs/MP-mp-29652.cif,False,,data/final/MP/graphs/Se3Ta1-MP-mp-29652.json,0,True,2/m,0,0,3,0,0,0,0,1,0,0,0,1.0,False
Au5K1,1,0.0,1.0,True,Au5K1,Au5K1,0.0,Other,True,Au83.333K16.667,Au-K,2,Supercon,Au5K1,MP-mp-1298,K1Au5,Au-K,Au83.333K16.667,P 6/m m m,hexagonal,4.592511,5.7958999963740885,5.79590031,data/final/MP/cifs/Au5K1-MP-mp-1298.cif,data/source/MP/raw/cifs/mp-1298.cif,mp-1298,0.0,,2011-05-13 10:31:15,12.726155189080208,10.17188/1189305,"@misc{osti_1189305,
    author = ""Persson, Kristin"",
    title = ""Materials Data on KAu5 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189305"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1699584'}},0.0,3.26958737,520.0,-18.83933026,-3.1398883766666668,{'tags': ['Gold potassium (5/1)']},-18.83933026,-3.1398883766666668,-0.2265872688333333,"['xas', 'bandstructure']",True,"[106286, 612092]",True,2021-05-12 10:56:53.126000,NM,6,8,mp-1298,,KAu5,"{'functional': 'PBE', 'labels': ['K_sv', 'Au'], 'pot_type': 'paw'}","{'K': 1.0, 'Au': 5.0}",GGA,mp-1298,"['mp-933151', 'mp-943504', 'mp-943357', 'mp-1298', 'mp-1425281', 'mp-1699584', 'mp-1927800', 'mp-1592170']",1.69e-05,"{'K': 1.0, 'Au': 5.0}",133.60497672069152,[],NM,False,191,0,"[0, 0, 0, 0, 0, 0]",1.2649229403580056e-07,1.69e-05,0,1.69e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1298.cif,False,,data/final/MP/graphs/Au5K1-MP-mp-1298.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ge1Th2,3,0.1333333333333334,3.0,False,Ge3Th6,Ge4Th6,0.0,Other,True,Ge33.333Th66.667,Ge-Th,2,Supercon,Ge1Th2,MP-mp-314,Th6Ge4,Ge-Th,Ge40Th60,P 4/m b m,tetragonal,4.139799,8.01774,8.01774,data/final/MP/cifs/Ge1Th2-MP-mp-314-synth_doped.cif,data/source/MP/raw/cifs/mp-314.cif,mp-314,0.0,,2011-05-15 10:09:13,10.50014759753245,10.17188/1205627,"@misc{osti_1205627,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Th3Ge2 (SG:127) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1205627"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696604'}},0.0,6.65310671,520.0,-69.9305762,-6.99305762,"{'tags': ['Thorium germanide (3/2)', 'Germanium thorium (2/3)']}",-69.9305762,-6.99305762,-0.6955315280000007,"['xas', 'elasticity', 'bandstructure']",True,"[638034, 44503, 638039]",True,2021-05-12 10:56:20.740000,NM,10,7,mp-314,,Th3Ge2,"{'functional': 'PBE', 'labels': ['Th', 'Ge_d'], 'pot_type': 'paw'}","{'Th': 3.0, 'Ge': 2.0}",GGA,mp-314,"['mp-920481', 'mp-314', 'mp-906876', 'mp-921509', 'mp-1475457', 'mp-1696604', 'mp-1598056']",0.0006714,"{'Th': 6.0, 'Ge': 4.0}",266.1234793743678,[],NM,False,127,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.045778009354158e-06,0.0006714,0,0.0013428,MP,data/source/MP/cleaned/cifs/MP-mp-314.cif,True,,data/final/MP/graphs/Ge1Th2-MP-mp-314-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
H0.32V0.68,2,0.0266666666666667,3.0,False,H0.96V2.04,H1V2,0.0,Other,True,H32V68,H-V,2,Supercon,H0.32V0.68,MP-mp-642644,V2H1,H-V,H33.333V66.667,C 1 2/m 1,monoclinic,2.66696892,2.66696892,4.44359888,data/final/MP/cifs/H0.32V0.68-MP-mp-642644-synth_doped.cif,data/source/MP/raw/cifs/mp-642644.cif,mp-642644,0.0,,2013-06-28 07:27:20,5.912611102137318,10.17188/1280135,"@misc{osti_1280135,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V2H (SG:12) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1280135"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1674208'}},0.0,5.99744897,520.0,-21.97618926,-7.325396420000001,{'tags': ['Vanadium deuteride (2/1)']},-21.97618926,-7.325396420000001,-0.1982170250000005,"['xas', 'elasticity', 'bandstructure']",True,[653722],True,2021-05-12 10:56:27.046000,NM,3,13,mp-642644,,V2H,"{'functional': 'PBE', 'labels': ['V_pv', 'H'], 'pot_type': 'paw'}","{'V': 2.0, 'H': 1.0}",GGA,mp-642644,"['mp-1012942', 'mp-642644', 'mp-1012974', 'mp-1062117', 'mp-1062156', 'mp-1062292', 'mp-1178818', 'mp-1439377', 'mp-1674208', 'mp-1794476', 'mp-1013000', 'mp-1592609', 'mp-1062178']",0.0007044,"{'V': 2.0, 'H': 1.0}",28.89661141545997,[],NM,False,12,0,"[0, 0, 0]",2.4376560624099304e-05,0.0007044,0,0.0007044,MP,data/source/MP/cleaned/cifs/MP-mp-642644.cif,True,,data/final/MP/graphs/H0.32V0.68-MP-mp-642644-synth_doped.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
Al2.06Cu1,3,0.14640522875817,1.4561553398058251,False,Al3Cu1.456,Al3Cu2,0.65,Other,True,Al67.32Cu32.68,Al-Cu,2,Supercon,Al2.06Cu1,MP-mp-10886,Al3Cu2,Al-Cu,Al60Cu40,P -3 m 1,trigonal,4.137985996872718,4.137986,5.030834,data/final/MP/cifs/Al2.06Cu1-MP-mp-10886-synth_doped.cif,data/source/MP/raw/cifs/mp-10886.cif,mp-10886,0.0,,2011-05-28 01:14:39,4.630631527890153,10.17188/1187427,"@misc{osti_1187427,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Al3Cu2 (SG:164) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187427"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697317'}},0.0338964932000003,7.81169939,520.0,-20.22671295,-4.04534259,{'tags': ['Aluminium copper (3/2)']},-20.22671295,-4.04534259,-0.1583144239999995,"['xas', 'elasticity', 'bandstructure']",True,[57668],True,2021-05-12 10:56:10.715000,NM,5,9,mp-10886,,Al3Cu2,"{'functional': 'PBE', 'labels': ['Al', 'Cu_pv'], 'pot_type': 'paw'}","{'Al': 3.0, 'Cu': 2.0}",GGA,mp-10886,"['mp-990382', 'mp-990390', 'mp-10886', 'mp-1252385', 'mp-1441746', 'mp-1697317', 'mp-1800358', 'mp-990403', 'mp-1592797']",0.0034705,"{'Al': 3.0, 'Cu': 2.0}",74.60168785585773,[],NM,False,164,0,"[0, 0, 0, 0, 0]",4.652039517799591e-05,0.0034705,0,0.0034705,MP,data/source/MP/cleaned/cifs/MP-mp-10886.cif,True,,data/final/MP/graphs/Al2.06Cu1-MP-mp-10886-synth_doped.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
As2Co0.24Eu1Fe1.76,3,0.096,1.0,True,As2Co0.24Eu1Fe1.76,As2Eu1Fe2,2.0,Ferrite,True,As40Co4.8Eu20Fe35.2,As-Co-Eu-Fe,4,Supercon,Eu1Fe1.76Co0.24As2,MP-mp-20890,Eu1Fe2As2,As-Eu-Fe,As40Eu20Fe40,I 4/m m m,tetragonal,3.9736679999368567,3.9736679999368567,6.07120609,data/final/MP/cifs/As2Co0.24Eu1Fe1.76-MP-mp-20890-synth_doped.cif,data/source/MP/raw/cifs/mp-20890.cif,mp-20890,0.0,,2014-02-21 09:03:25,8.079887417044961,10.17188/1196086,"@misc{osti_1196086,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Eu(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196086"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687595'}},0.0,5.69045342,520.0,-39.43180547,-7.886361094,"{'tags': ['High pressure experimental phase', 'Europium diiron diarsenide - HP', 'Europium diiron diarsenide', 'Europium iron arsenide (1/2/2)']}",-39.43180547,-7.886361094,-0.5763016570000005,"['xas', 'bandstructure']",True,"[169689, 169687, 185355, 169691, 163211, 185356, 610431, 169690, 169688, 163210]",True,2021-05-12 10:56:57.051000,FM,5,16,mp-20890,,Eu(FeAs)2,"{'functional': 'PBE', 'labels': ['Eu', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Eu': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-20890,"['mp-991161', 'mp-993140', 'mp-20890', 'mp-1069324', 'mp-1069480', 'mp-1069596', 'mp-1069907', 'mp-1070115', 'mp-1069978', 'mp-1442076', 'mp-1687595', 'mp-1782260', 'mp-994461', 'mp-1594012', 'mp-1069557', 'mp-1070074']",6.9579645,"{'Eu': 1.0, 'Fe': 2.0, 'As': 2.0}",84.97992844321493,[],FM,True,139,1,"[6.7, -0.0, -0.0, 0.0, 0.0]",0.0818777401613068,6.9579645,1,6.9579645,MP,data/source/MP/cleaned/cifs/MP-mp-20890.cif,True,,data/final/MP/graphs/As2Co0.24Eu1Fe1.76-MP-mp-20890-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2C1Cu0.05Ni1.95Y1,2,0.0166666666666666,1.0,True,B2C1Cu0.05Ni1.95Y1,B2C1Ni2Y1,14.7,Other,True,B33.333C16.667Cu0.833Ni32.5Y16.667,B-C-Cu-Ni-Y,5,Supercon,Y1Ni1.95Cu0.05B2C1,MP-mp-6576,Y1Ni2B2C1,B-C-Ni-Y,B33.333C16.667Ni33.333Y16.667,I 4/m m m,tetragonal,3.548790000501972,3.548790000501972,5.76144136,data/final/MP/cifs/B2C1Cu0.05Ni1.95Y1-MP-mp-6576-synth_doped.cif,data/source/MP/raw/cifs/mp-6576.cif,mp-6576,0.0,,2011-05-13 05:21:43,6.099730998852292,10.17188/1281366,"@misc{osti_1281366,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281366"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688230'}},0.0,6.81083016,520.0,-43.677878,-7.279646333333333,{'tags': []},-43.677878,-7.279646333333333,-0.5109282141666659,"['xas', 'bandstructure']",True,"[75816, 89142, 83231, 79574, 41549]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6576,,YNi2B2C,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6576,"['mp-6576', 'mp-1007054', 'mp-1000583', 'mp-1439516', 'mp-1688230', 'mp-1794280', 'mp-1011792', 'mp-1597064']",0.0006603,"{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",65.3152437079014,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",1.010943177297096e-05,0.0006603,0,0.0006603,MP,data/source/MP/cleaned/cifs/MP-mp-6576.cif,True,,data/final/MP/graphs/B2C1Cu0.05Ni1.95Y1-MP-mp-6576-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
As1Co0.125Fe0.875Sm1O1,3,0.0625,2.0,False,As2Co0.25Fe1.75Sm2O2,As2Fe2Sm2O2,14.3,Ferrite,True,As25Co3.125Fe21.875Sm25O25,As-Co-Fe-Sm-O,5,Supercon,Sm1Fe0.875Co0.125As1O1,MP-mp-20349,Sm2Fe2As2O2,As-Fe-Sm-O,As25Fe25Sm25O25,P 4/n m m,tetragonal,4.026492,4.026492,9.046755,data/final/MP/cifs/As1Co0.125Fe0.875Sm1O1-MP-mp-20349-synth_doped.cif,data/source/MP/raw/cifs/mp-20349.cif,mp-20349,0.0,,2014-02-19 11:24:42,6.727802583283198,,,{'GGA+U': {'task_id': 'mp-1695938'}},0.3015723809374986,3.77685593,520.0,-52.73407138,-6.5917589225,{'tags': ['Samarium iron arsenic oxide (1/1/1/1)']},-52.73407138,-6.5917589225,-1.6285904237499995,"['xas', 'elasticity', 'bandstructure']",True,"[236652, 236653, 422002, 163457, 163458]",True,2021-05-12 10:56:16.728000,FM,8,10,mp-20349,oxide,SmFeAsO,"{'functional': 'PBE', 'labels': ['Sm_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sm': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-20349,"['mp-24944', 'mp-1078897', 'mp-1079866', 'mp-1173321', 'mp-20349', 'mp-1425472', 'mp-1695938', 'mp-1772503', 'mp-1789694', 'mp-1588381']",3.75729895,"{'Sm': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",146.67176231613362,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, -0.0, -0.0, -0.0, -0.0]",0.0512341147425717,3.75729895,2,7.5145979,MP,data/source/MP/cleaned/cifs/MP-mp-20349.cif,True,,data/final/MP/graphs/As1Co0.125Fe0.875Sm1O1-MP-mp-20349-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Mo0.2Ru0.8,3,0.1,8.0,False,Mo1.6Ru6.4,Mo2Ru6,1.66,Other,True,Mo20Ru80,Mo-Ru,2,Supercon,Mo0.2Ru0.8,MP-mp-975834,Mo2Ru6,Mo-Ru,Mo25Ru75,P 63/m m c,hexagonal,4.372838,5.515080002607994,5.51507967,data/final/MP/cifs/Mo0.2Ru0.8-MP-mp-975834-synth_doped.cif,data/source/MP/raw/cifs/mp-975834.cif,mp-975834,0.0,,2015-09-17 12:17:25,11.508470490145957,10.17188/1314893,"@misc{osti_1314893,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MoRu3 (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1314893"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1755187'}},0.0,8.00366563,520.0,-77.82641629,-9.72830203625,{'tags': []},-77.82641629,-9.72830203625,-0.0610990375,"['xas', 'elasticity', 'bandstructure']",True,[],True,2021-05-12 10:56:35.166000,NM,8,8,mp-975834,,MoRu3,"{'functional': 'PBE', 'labels': ['Mo_pv', 'Ru_pv'], 'pot_type': 'paw'}","{'Mo': 1.0, 'Ru': 3.0}",GGA,mp-975834,"['mp-975903', 'mp-975871', 'mp-975834', 'mp-1411550', 'mp-1755187', 'mp-1786752', 'mp-975944', 'mp-1622055']",0.0002813,"{'Mo': 2.0, 'Ru': 6.0}",115.18544866599105,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",4.884297509066437e-06,0.0002813,0,0.0005626,MP,data/source/MP/cleaned/cifs/MP-mp-975834.cif,True,,data/final/MP/graphs/Mo0.2Ru0.8-MP-mp-975834-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
K0.27W1O3,2,0.0273824536119619,3.0,False,K0.81W3O9,K1W3O9,0.5,Oxide,True,K6.323W23.419O70.2576112412178,K-W-O,3,Supercon,K0.27O3W1,MP-mp-1223833,K1W3O9,K-W-O,K7.692W23.077O69.23076923076923,P 6 m m,hexagonal,3.883285,7.520436003763209,7.52043633,data/final/MP/cifs/K0.27W1O3-MP-mp-1223833-synth_doped.cif,data/source/MP/raw/cifs/mp-1223833.cif,mp-1223833,0.0,,2019-01-13 00:10:21.906000,6.413449603674031,,,{'GGA+U': {'task_id': 'mp-1738825'}},0.0107775654807671,3.06202468,520.0,-93.96417589,-7.22801353,{'tags': []},-93.96417589,-7.22801353,-2.2265191144615386,[],False,[],True,2021-05-12 11:00:52.054000,FM,13,4,mp-1223833,oxide,K(WO3)3,"{'functional': 'PBE', 'labels': ['K_sv', 'W_pv', 'O'], 'pot_type': 'paw'}","{'K': 1.0, 'W': 3.0, 'O': 9.0}",GGA+U,mp-1223833,"['mp-1223833', 'mp-1383246', 'mp-1738825', 'mp-1832176']",0.8606825,"{'K': 1.0, 'W': 3.0, 'O': 9.0}",190.2023863381588,[],FM,True,35,1,"[0.0, 0.4, 0.3, 0.4, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0045250878107796,0.8606825,3,0.8606825,MP,data/source/MP/cleaned/cifs/MP-mp-1223833.cif,True,,data/final/MP/graphs/K0.27W1O3-MP-mp-1223833-synth_doped.json,0,True,6mm,0,5,0,0,0,0,0,1,0,0,0,1.0,False
Cu2Gd1Ir0.02Ru0.98Sr2O8,2,0.0028571428571428,2.0,False,Cu4Gd2Ir0.04Ru1.96Sr4O16,Cu4Gd2Ru2Sr4O16,38.0,Cuprate,True,Cu14.286Gd7.143Ir0.143Ru7Sr14.286O57.142857142857146,Cu-Gd-Ir-Ru-Sr-O,6,Supercon,Ru0.98Ir0.02Sr2Gd1Cu2O8,MP-mp-1194240,Sr4Gd2Cu4Ru2O16,Cu-Gd-Ru-Sr-O,Cu14.286Gd7.143Ru7.143Sr14.286O57.142857142857146,P 4/m b m,tetragonal,5.472451,5.472451,11.740702,data/final/MP/cifs/Cu2Gd1Ir0.02Ru0.98Sr2O8-MP-mp-1194240-synth_doped.cif,data/source/MP/raw/cifs/mp-1194240.cif,mp-1194240,0.0,,2019-01-11 23:51:58.932000,6.504561898971391,,,{'GGA': {'task_id': 'mp-1765260'}},0.0213449239285443,3.93502801,520.0,-201.55352223,-7.198340079642857,"{'tags': ['Sr2Cu2GdRuO8 orth', 'Sr2Cu2GdRuO8', 'Ruthenium distrontium gadolinium dicopper octaoxide']}",-201.55352223,-7.198340079642857,-2.268654352380952,['bandstructure'],True,[245741],True,2021-05-12 10:58:35.561000,FiM,28,6,mp-1194240,oxide,Sr2GdCu2RuO8,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Gd', 'Cu_pv', 'Ru_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Gd': 1.0, 'Cu': 2.0, 'Ru': 1.0, 'O': 8.0}",GGA,mp-1194240,"['mp-1194240', 'mp-1396976', 'mp-1659973', 'mp-1765260', 'mp-1841948', 'mp-1638264']",4.23696715,"{'Sr': 4.0, 'Gd': 2.0, 'Cu': 4.0, 'Ru': 2.0, 'O': 16.0}",351.6072554818909,[],FiM,True,127,2,"[-0.0, -0.0, -0.0, -0.0, 6.9, 6.9, 0.0, 0.0, 0.0, 0.0, -1.8, -1.8, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0241005672319991,4.23696715,4,8.4739343,MP,data/source/MP/cleaned/cifs/MP-mp-1194240.cif,True,,data/final/MP/graphs/Cu2Gd1Ir0.02Ru0.98Sr2O8-MP-mp-1194240-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As1Fe1Pr0.8Sr0.2O1,3,0.0999999999999999,2.0,False,As2Fe2Pr1.6Sr0.4O2,As2Fe2Pr2O2,14.6,Ferrite,True,As25Fe25Pr20Sr5O25,As-Fe-Pr-Sr-O,5,Supercon,Pr0.8Sr0.2Fe1As1O1,MP-mp-22491,Pr2Fe2As2O2,As-Fe-Pr-O,As25Fe25Pr25O25,P 4/n m m,tetragonal,4.094889,4.094889,9.258722,data/final/MP/cifs/As1Fe1Pr0.8Sr0.2O1-MP-mp-22491-synth_doped.cif,data/source/MP/raw/cifs/mp-22491.cif,mp-22491,0.0,,2014-02-25 19:17:30,6.153806906111091,,,{'GGA+U': {'task_id': 'mp-1695715'}},0.3808778432291664,4.12348168,520.0,-51.7633941,-6.4704242625,{'tags': ['Praseodymium iron arsenic oxide (1/1/1/1)']},-51.7633941,-6.4704242625,-1.491677511249999,"['xas', 'bandstructure']",True,"[162830, 162833, 246832, 90316, 422000, 236649, 236648, 602491]",True,2021-05-12 10:57:10.838000,FM,8,8,mp-22491,oxide,PrFeAsO,"{'functional': 'PBE', 'labels': ['Pr_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Pr': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-22491,"['mp-510622', 'mp-1079608', 'mp-1079857', 'mp-22491', 'mp-1476145', 'mp-1695715', 'mp-1778524', 'mp-1596397']",3.7947681,"{'Pr': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",155.25132378854377,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, 0.0, 0.0, 0.0, 0.0]",0.0488854846116297,3.7947681,2,7.5895362,MP,data/source/MP/cleaned/cifs/MP-mp-22491.cif,True,,data/final/MP/graphs/As1Fe1Pr0.8Sr0.2O1-MP-mp-22491-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Bi2Pd3Se2,1,0.0,2.0,False,Bi4Pd6Se4,Bi4Pd6Se4,0.96,Other,True,Bi28.571Pd42.857Se28.571,Bi-Pd-Se,3,Supercon,Bi2Pd3Se2,MP-mp-1103697,Bi4Pd6Se4,Bi-Pd-Se,Bi28.571Pd42.857Se28.571,C 1 2/m 1,monoclinic,7.35229261,7.35229261,7.517960920182137,data/final/MP/cifs/Bi2Pd3Se2-MP-mp-1103697.cif,data/source/MP/raw/cifs/mp-1103697.cif,mp-1103697,0.0,,2018-07-18 19:09:18,9.399745990076545,,,{'GGA': {'task_id': 'mp-1700779'}},0.0,5.34803559,520.0,-65.74662028,-4.696187162857143,"{'tags': ['Ni3Bi2S2', 'Palladium bismuth selenide (3/2/2)', 'Pd3Bi2Se2', 'Bismuth palladium selenide (2/3/2)']}",-65.74662028,-4.696187162857143,-0.5008247335267859,['bandstructure'],True,"[261457, 261459, 616957, 421873, 261458, 261456]",True,2021-05-12 10:58:20.361000,NM,14,12,mp-1103697,,Bi2Pd3Se2,"{'functional': 'PBE', 'labels': ['Bi', 'Pd', 'Se'], 'pot_type': 'paw'}","{'Bi': 2.0, 'Pd': 3.0, 'Se': 2.0}",GGA,mp-1103697,"['mp-1103697', 'mp-1104618', 'mp-1104745', 'mp-1104807', 'mp-1105004', 'mp-1105086', 'mp-1182350', 'mp-1237390', 'mp-1425357', 'mp-1700779', 'mp-1806789', 'mp-1598386']",1.285e-05,"{'Bi': 4.0, 'Pd': 6.0, 'Se': 4.0}",316.2673268143224,[],NM,False,12,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",8.126037001314471e-08,1.285e-05,0,2.57e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1103697.cif,False,,data/final/MP/graphs/Bi2Pd3Se2-MP-mp-1103697.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
Al1Mo0.3Nb2.7,3,0.1499999999999999,2.0,False,Al2Mo0.6Nb5.4,Al2Nb6,11.85,Other,True,Al25Mo7.5Nb67.5,Al-Mo-Nb,3,Supercon,Nb2.7Mo0.3Al1,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al1Mo0.3Nb2.7-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al1Mo0.3Nb2.7-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Rh37Zr63,3,0.0733333333333333,0.0540508365508365,False,Rh2Zr3.405,Rh2Zr4,2.86,Other,True,Rh37Zr63,Rh-Zr,2,Supercon,Rh37Zr63,MP-mp-571664,Zr4Rh2,Rh-Zr,Rh33.333Zr66.667,I 4/m c m,tetragonal,5.424551640917728,5.42455164,5.424551640000001,data/final/MP/cifs/Rh37Zr63-MP-mp-571664-synth_doped.cif,data/source/MP/raw/cifs/mp-571664.cif,mp-571664,0.0,,2014-02-16 05:17:29,7.817083063733077,10.17188/1276382,"@misc{osti_1276382,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Zr2Rh (SG:140) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276382"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704186'}},0.0,4.85143713,520.0,-52.2156124,-8.702602066666666,"{'tags': ['Rhodium zirconium hydride (1/2/4)', 'Rhodium zirconium (1/2)']}",-52.2156124,-8.702602066666666,-0.5493656899999996,"['xas', 'elasticity', 'bandstructure']",True,"[650562, 658071, 102807, 650557]",True,2021-05-12 10:56:27.046000,NM,6,17,mp-571664,,Zr2Rh,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Rh_pv'], 'pot_type': 'paw'}","{'Zr': 2.0, 'Rh': 1.0}",GGA,mp-571664,"['mp-941245', 'mp-934770', 'mp-941545', 'mp-571664', 'mp-1071440', 'mp-1071460', 'mp-1071500', 'mp-1072883', 'mp-1072945', 'mp-1072899', 'mp-1077561', 'mp-1441114', 'mp-1704186', 'mp-1802450', 'mp-1595340', 'mp-1071495', 'mp-1072938']",0.01533035,"{'Zr': 4.0, 'Rh': 2.0}",121.23208380358663,[],NM,False,140,0,"[0, 0, 0, 0, 0, 0]",0.0002529091230476,0.01533035,0,0.0306607,MP,data/source/MP/cleaned/cifs/MP-mp-571664.cif,True,,data/final/MP/graphs/Rh37Zr63-MP-mp-571664-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Al3Ti1,1,0.0,1.0,True,Al3Ti1,Al3Ti1,0.0,Other,True,Al75Ti25,Al-Ti,2,Supercon,Al3Ti1,MP-mp-542915,Ti1Al3,Al-Ti,Al75Ti25,I 4/m m m,tetragonal,3.843965996373057,3.843965996373057,5.08788711,data/final/MP/cifs/Al3Ti1-MP-mp-542915.cif,data/source/MP/raw/cifs/mp-542915.cif,mp-542915,0.0,,2014-02-26 03:09:08,3.365705500249346,10.17188/1266787,"@misc{osti_1266787,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TiAl3 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1266787"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668524'}},0.0,7.5172822,520.0,-20.72238103,-5.1805952575,"{'tags': ['Titanium aluminide (1/3) - DO22', 'Titanium aluminide (1/3)', 'Aluminium titanium (3/1)', 'Aluminum titanium (3/1)']}",-20.72238103,-5.1805952575,-0.397540380833334,"['xas', 'elasticity', 'bandstructure']",True,"[163715, 609543, 609529, 609542, 609547, 167813, 604464, 58189, 609545, 107892, 609525, 190891]",True,2021-05-12 10:56:22.739000,NM,4,17,mp-542915,,TiAl3,"{'functional': 'PBE', 'labels': ['Ti_pv', 'Al'], 'pot_type': 'paw'}","{'Ti': 1.0, 'Al': 3.0}",GGA,mp-542915,"['mp-993536', 'mp-991626', 'mp-542915', 'mp-1067024', 'mp-1067091', 'mp-1067060', 'mp-1067443', 'mp-1067478', 'mp-1067507', 'mp-1440579', 'mp-1668524', 'mp-1794169', 'mp-994834', 'mp-1593514', 'mp-1596260', 'mp-1067079', 'mp-1067495']",0.0011218,"{'Ti': 1.0, 'Al': 3.0}",63.55182301360691,[],NM,False,139,0,"[0, 0, 0, 0]",1.7651735966092025e-05,0.0011218,0,0.0011218,MP,data/source/MP/cleaned/cifs/MP-mp-542915.cif,False,,data/final/MP/graphs/Al3Ti1-MP-mp-542915.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba1Pb0.85Sb0.15O3,3,0.06,2.0,False,Ba2Pb1.7Sb0.3O6,Ba2Pb2O6,1.4,Oxide,True,Ba20Pb17Sb3O60,Ba-Pb-Sb-O,4,Supercon,Ba1Pb0.85Sb0.15O3,MP-mp-20461,Ba2Pb2O6,Ba-Pb-O,Ba20Pb20O60,C 1 2/m 1,monoclinic,6.13110795,6.15036645,6.15036645,data/final/MP/cifs/Ba1Pb0.85Sb0.15O3-MP-mp-20461-synth_doped.cif,data/source/MP/raw/cifs/mp-20461.cif,mp-20461,0.2051999999999996,,2014-02-21 12:57:54,7.877180851020856,10.17188/1195591,"@misc{osti_1195591,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BaPbO3 (SG:12) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195591"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688120'}},0.0,2.99844765,520.0,-57.91699323,-5.7916993230000005,"{'tags': ['Barium plumbate', 'Barium lead(IV) oxide']}",-57.91699323,-5.7916993230000005,-2.108799140000001,"['diel', 'xas', 'bandstructure']",True,"[67299, 51656]",True,2021-05-12 10:56:45.290000,NM,10,10,mp-20461,oxide,BaPbO3,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pb_d', 'O'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Pb': 1.0, 'O': 3.0}",GGA,mp-20461,"['mp-919763', 'mp-918765', 'mp-905786', 'mp-551164', 'mp-20461', 'mp-1141988', 'mp-1439228', 'mp-1688120', 'mp-1833847', 'mp-1588870']",5.695e-05,"{'Ba': 2.0, 'Pb': 2.0, 'O': 6.0}",165.49154870311418,[],NM,False,12,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.882526684449154e-07,5.695e-05,0,0.0001139,MP,data/source/MP/cleaned/cifs/MP-mp-20461.cif,True,,data/final/MP/graphs/Ba1Pb0.85Sb0.15O3-MP-mp-20461-synth_doped.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,0.5,False
B2Mg0.98,2,0.0089485458612975,1.0,True,B2Mg0.98,B2Mg1,38.4,Other,True,B67.114Mg32.886,B-Mg,2,Supercon,B2Mg0.98,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B2Mg0.98-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B2Mg0.98-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ce0.025Ru2Si2U0.975,2,0.01,1.0,True,Ce0.025Ru2Si2U0.975,Ru2Si2U1,0.0,Heavy_fermion,True,Ce0.5Ru40Si40U19.5,Ce-Ru-Si-U,4,Supercon,U0.975Ce0.025Ru2Si2,MP-mp-3388,U1Si2Ru2,Ru-Si-U,Ru40Si40U20,I 4/m m m,tetragonal,4.158676000898558,4.158676000898558,5.61744113,data/final/MP/cifs/Ce0.025Ru2Si2U0.975-MP-mp-3388-synth_doped.cif,data/source/MP/raw/cifs/mp-3388.cif,mp-3388,0.0,,2011-05-13 04:30:05,9.956832496604427,10.17188/1206675,"@misc{osti_1206675,
    author = ""Persson, Kristin"",
    title = ""Materials Data on U(SiRu)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1206675"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686680'}},0.0,9.49980175,520.0,-43.93435978,-8.786871956,"{'tags': ['Uranium ruthenium germanide (1/2/2)', 'Uranium ruthenium silicide (1/2/2)', 'Ruthenium uranium silicide (2/1/2)']}",-43.93435978,-8.786871956,-0.6203084840000003,"['xas', 'elasticity', 'bandstructure']",True,"[604007, 40549, 603775, 657192, 650657, 650659, 656244, 650651, 659029, 650655, 657104, 650654]",True,2021-05-12 10:56:20.740000,NM,5,10,mp-3388,,U(SiRu)2,"{'functional': 'PBE', 'labels': ['U', 'Si', 'Ru_pv'], 'pot_type': 'paw'}","{'U': 1.0, 'Si': 2.0, 'Ru': 2.0}",GGA,mp-3388,"['mp-908075', 'mp-923326', 'mp-922549', 'mp-3388', 'mp-1143681', 'mp-1441027', 'mp-1686680', 'mp-1864234', 'mp-1588085', 'mp-1586352']",0.00906,"{'U': 1.0, 'Si': 2.0, 'Ru': 2.0}",82.7765065997446,[],NM,False,139,0,"[0.0, 0.0, 0.0, -0.0, -0.0]",0.0001094513452205,0.00906,0,0.00906,MP,data/source/MP/cleaned/cifs/MP-mp-3388.cif,True,,data/final/MP/graphs/Ce0.025Ru2Si2U0.975-MP-mp-3388-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
La0.9Nd0.1Pt1Si1,3,0.0666666666666666,2.0,False,La1.8Nd0.2Pt2Si2,La2Pt2Si2,1.42,Other,True,La30Nd3.333Pt33.333Si33.333,La-Nd-Pt-Si,4,Supercon,La0.9Nd0.1Pt1Si1,MP-mp-1206485,La2Si2Pt2,La-Pt-Si,La33.333Pt33.333Si33.333,I 41 m d,tetragonal,4.277808001286174,4.277808001286175,7.94541446,data/final/MP/cifs/La0.9Nd0.1Pt1Si1-MP-mp-1206485-synth_doped.cif,data/source/MP/raw/cifs/mp-1206485.cif,mp-1206485,0.0,,2019-01-12 09:47:13.211000,8.943745313538361,,,{'GGA': {'task_id': 'mp-1734531'}},0.0,7.90579938,520.0,-39.77896993,-6.629828321666667,{'tags': ['LaPtSi']},-39.77896993,-6.629828321666667,-1.1287520433333331,['bandstructure'],True,[],True,2021-05-12 10:58:37.524000,NM,6,5,mp-1206485,,LaSiPt,"{'functional': 'PBE', 'labels': ['La', 'Si', 'Pt'], 'pot_type': 'paw'}","{'La': 1.0, 'Si': 1.0, 'Pt': 1.0}",GGA,mp-1206485,"['mp-1206485', 'mp-1387492', 'mp-1734531', 'mp-1788111', 'mp-1628393']",1.825e-05,"{'La': 2.0, 'Si': 2.0, 'Pt': 2.0}",134.4491846861766,[],NM,False,109,0,"[0, 0, 0, 0, 0, 0]",2.714780315343388e-07,1.825e-05,0,3.65e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1206485.cif,True,,data/final/MP/graphs/La0.9Nd0.1Pt1Si1-MP-mp-1206485-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,0,0,1,0,1.0,False
C2Ni1Th0.2Y0.8,3,0.0999999999999999,1.0,True,C2Ni1Th0.2Y0.8,C2Ni1Y1,6.535,Other,True,C50Ni25Th5Y20,C-Ni-Th-Y,4,Supercon,Y0.8Th0.2Ni1C2,MP-mp-1066566,Y1Ni1C2,C-Ni-Y,C50Ni25Y25,A m m 2,orthorhombic,3.602745,3.76432531,3.76432531,data/final/MP/cifs/C2Ni1Th0.2Y0.8-MP-mp-1066566-synth_doped.cif,data/source/MP/raw/cifs/mp-1066566.cif,mp-1066566,0.0,,2018-03-21 19:57:05,5.814059904528103,,,{'GGA': {'task_id': 'mp-1671332'}},0.0,6.53268675,520.0,-32.01396232,-8.00349058,"{'tags': ['YNiC2', 'Yttrium nickel carbide (1/1/2)', 'CeNiC2']}",-32.01396232,-8.00349058,-0.3284482816666658,['bandstructure'],True,"[618597, 618595]",True,2021-05-12 10:58:14.654000,NM,4,12,mp-1066566,,YNiC2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ni_pv', 'C'], 'pot_type': 'paw'}","{'Y': 1.0, 'Ni': 1.0, 'C': 2.0}",GGA,mp-1066566,"['mp-1066566', 'mp-1066591', 'mp-1066663', 'mp-1066963', 'mp-1066912', 'mp-1067057', 'mp-1437809', 'mp-1671332', 'mp-1792644', 'mp-1588942', 'mp-1066615', 'mp-1066986']",0.000243,"{'Y': 1.0, 'Ni': 1.0, 'C': 2.0}",49.0161433903244,[],NM,False,38,0,"[0, 0, 0, 0]",4.957550374066501e-06,0.000243,0,0.000243,MP,data/source/MP/cleaned/cifs/MP-mp-1066566.cif,True,,data/final/MP/graphs/C2Ni1Th0.2Y0.8-MP-mp-1066566-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
C1Cu0.06Mg1Ni2.94,2,0.024,1.0,True,C1Cu0.06Mg1Ni2.94,C1Mg1Ni3,6.3,Other,True,C20Cu1.2Mg20Ni58.8,C-Cu-Mg-Ni,4,Supercon,Mg1C1Ni2.94Cu0.06,MP-mp-10700,Mg1Ni3C1,C-Mg-Ni,C20Mg20Ni60,P m -3 m,cubic,3.810209,3.810209,3.810209,data/final/MP/cifs/C1Cu0.06Mg1Ni2.94-MP-mp-10700-synth_doped.cif,data/source/MP/raw/cifs/mp-10700.cif,mp-10700,0.0,,2011-05-28 10:04:44,6.376007671789427,10.17188/1187303,"@misc{osti_1187303,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MgNi3C (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187303"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1678621'}},0.0,6.64260176,520.0,-28.85099542,-5.770199084,{'tags': ['Magnesium nickel carbide (1/3/1)']},-28.85099542,-5.770199084,-0.1367049259999994,"['xas', 'elasticity', 'bandstructure']",True,[77152],True,2021-05-12 10:56:10.715000,NM,5,8,mp-10700,,MgNi3C,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Ni_pv', 'C'], 'pot_type': 'paw'}","{'Mg': 1.0, 'Ni': 3.0, 'C': 1.0}",GGA,mp-10700,"['mp-927245', 'mp-927653', 'mp-911184', 'mp-10700', 'mp-1438083', 'mp-1678621', 'mp-1791467', 'mp-1591421']",0.0387875,"{'Mg': 1.0, 'Ni': 3.0, 'C': 1.0}",55.31544309398296,[],NM,False,221,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",0.0007012056277683,0.0387875,0,0.0387875,MP,data/source/MP/cleaned/cifs/MP-mp-10700.cif,True,,data/final/MP/graphs/C1Cu0.06Mg1Ni2.94-MP-mp-10700-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Ca0.03Cu4Ho0.97O8,2,0.004,1.0,True,Ba2Ca0.03Cu4Ho0.97O8,Ba2Cu4Ho1O8,77.4,Cuprate,True,Ba13.333Ca0.2Cu26.667Ho6.467O53.333333333333336,Ba-Ca-Cu-Ho-O,5,Supercon,Ho0.97Ca0.03Ba2Cu4O8,MP-mp-6205,Ba2Ho1Cu4O8,Ba-Cu-Ho-O,Ba13.333Cu26.667Ho6.667O53.333333333333336,C m m m,orthorhombic,3.87946,3.894348001774656,13.87398175,data/final/MP/cifs/Ba2Ca0.03Cu4Ho0.97O8-MP-mp-6205-synth_doped.cif,data/source/MP/raw/cifs/mp-6205.cif,mp-6205,0.0,,2011-05-16 02:52:11,6.575196061130729,10.17188/1278028,"@misc{osti_1278028,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2Ho(CuO2)4 (SG:65) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278028"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1678300'}},0.0,3.29099269,520.0,-89.84060384,-5.989373589333334,"{'tags': ['Holmium dibarium tricopper copper(III) oxide', 'Holmium dibarium tetracopper octaoxide', 'Holmium barium copper oxide (1/2/4/8)']}",-89.84060384,-5.989373589333334,-2.0623825726666665,"['xas', 'bandstructure']",True,"[67638, 75688, 74126, 78624, 67639]",True,2021-05-12 10:57:28.836000,NM,15,7,mp-6205,oxide,Ba2Ho(CuO2)4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ho_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Ho': 1.0, 'Cu': 4.0, 'O': 8.0}",GGA,mp-6205,"['mp-1001291', 'mp-1007620', 'mp-6205', 'mp-1381302', 'mp-1678300', 'mp-1832236', 'mp-1599331']",0.0019325,"{'Ba': 2.0, 'Ho': 1.0, 'Cu': 4.0, 'O': 8.0}",207.53304019835824,[],NM,False,65,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",9.31177030005889e-06,0.0019325,0,0.0019325,MP,data/source/MP/cleaned/cifs/MP-mp-6205.cif,True,,data/final/MP/graphs/Ba2Ca0.03Cu4Ho0.97O8-MP-mp-6205-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Bi1Sc1,1,0.0,1.0,True,Bi1Sc1,Bi1Sc1,0.0,Other,True,Bi50Sc50,Bi-Sc,2,Supercon,Bi1Sc1,MP-mp-570632,Sc1Bi1,Bi-Sc,Bi50Sc50,F m -3 m,cubic,4.26879515,4.26879515,4.26879515,data/final/MP/cifs/Bi1Sc1-MP-mp-570632.cif,data/source/MP/raw/cifs/mp-570632.cif,mp-570632,0.0,,2014-02-16 10:30:00,7.666073148858634,10.17188/1275825,"@misc{osti_1275825,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ScBi (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1275825"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-928206'}},0.0,5.35898923,520.0,-11.53734507,-5.768672535,{'tags': ['Bismuth scandium (1/1)']},-11.53734507,-5.768672535,-0.6574208275000002,"['xas', 'elasticity', 'bandstructure']",True,[58856],True,2021-05-12 10:56:27.046000,NM,2,7,mp-570632,,ScBi,"{'functional': 'PBE', 'labels': ['Sc_sv', 'Bi'], 'pot_type': 'paw'}","{'Sc': 1.0, 'Bi': 1.0}",GGA,mp-570632,"['mp-912166', 'mp-928206', 'mp-928766', 'mp-570632', 'mp-1439745', 'mp-1791136', 'mp-1592799']",0.0012531,"{'Sc': 1.0, 'Bi': 1.0}",55.00484515558099,[],NM,False,225,0,"[0, 0]",2.278162944474457e-05,0.0012531,0,0.0012531,MP,data/source/MP/cleaned/cifs/MP-mp-570632.cif,False,,data/final/MP/graphs/Bi1Sc1-MP-mp-570632.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
B2Ce1Rh3,1,0.0,1.0,True,B2Ce1Rh3,B2Ce1Rh3,0.0,Heavy_fermion,True,B33.333Ce16.667Rh50,B-Ce-Rh,3,Supercon,Ce1Rh3B2,MP-mp-5757,Ce1B2Rh3,B-Ce-Rh,B33.333Ce16.667Rh50,P 6/m m m,hexagonal,3.118209,5.487847999217767,5.48784819,data/final/MP/cifs/B2Ce1Rh3-MP-mp-5757.cif,data/source/MP/raw/cifs/mp-5757.cif,mp-5757,0.0,,2011-05-13 10:23:25,9.605648801161704,10.17188/1276600,"@misc{osti_1276600,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeB2Rh3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276600"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686703'}},0.009796533452377,8.12294811,520.0,-45.44455374,-7.57409229,{'tags': ['Cerium rhodium boride (1/3/2)']},-45.44455374,-7.57409229,-0.6766262388888885,"['xas', 'elasticity', 'bandstructure']",True,"[99235, 612838, 612839, 40777, 612834, 612822, 40778, 612847, 612841, 612827, 99237, 612844, 40775, 40776]",True,2021-05-12 10:56:27.046000,FM,6,9,mp-5757,,CeB2Rh3,"{'functional': 'PBE', 'labels': ['Ce', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Ce': 1.0, 'B': 2.0, 'Rh': 3.0}",GGA,mp-5757,"['mp-5757', 'mp-1000749', 'mp-1007204', 'mp-1440565', 'mp-1686703', 'mp-1881855', 'mp-1011939', 'mp-1592509', 'mp-1591239']",0.7289503,"{'Ce': 1.0, 'B': 2.0, 'Rh': 3.0}",81.32798652947739,[],FM,True,191,1,"[0.6, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0089630929168004,0.7289503,1,0.7289503,MP,data/source/MP/cleaned/cifs/MP-mp-5757.cif,False,,data/final/MP/graphs/B2Ce1Rh3-MP-mp-5757.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As1Fe1Gd0.8Th0.2O1,3,0.0999999999999999,2.0,False,As2Fe2Gd1.6Th0.4O2,As2Fe2Gd2O2,56.5,Ferrite,True,As25Fe25Gd20Th5O25,As-Fe-Gd-Th-O,5,Supercon,Gd0.8Th0.2Fe1As1O1,MP-mp-1078679,Gd2Fe2As2O2,As-Fe-Gd-O,As25Fe25Gd25O25,P 4/n m m,tetragonal,3.996524,3.996524,9.110606,data/final/MP/cifs/As1Fe1Gd0.8Th0.2O1-MP-mp-1078679-synth_doped.cif,data/source/MP/raw/cifs/mp-1078679.cif,mp-1078679,0.0,,2018-04-12 14:54:44,6.938465251324023,,,{'GGA+U': {'task_id': 'mp-1704492'}},0.2756975050000001,4.06882668,520.0,-71.78498399,-8.97312299875,{'tags': ['Gadolinium iron arsenic oxide (1/1/1/1)']},-71.78498399,-8.97312299875,-1.670570473750001,['bandstructure'],True,"[425013, 422003, 425006, 425015, 425010, 236655, 425016]",True,2021-05-12 10:58:16.596000,FM,8,10,mp-1078679,oxide,GdFeAsO,"{'functional': 'PBE', 'labels': ['Gd', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Gd': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-1078679,"['mp-1078679', 'mp-1079389', 'mp-1079927', 'mp-1080502', 'mp-1080613', 'mp-1095209', 'mp-1438268', 'mp-1704492', 'mp-1864230', 'mp-1589235']",10.7990939,"{'Gd': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",145.5164583479414,[],FM,True,129,2,"[6.9, 6.9, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0]",0.1484243641248952,10.7990939,4,21.5981878,MP,data/source/MP/cleaned/cifs/MP-mp-1078679.cif,True,,data/final/MP/graphs/As1Fe1Gd0.8Th0.2O1-MP-mp-1078679-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Fe1Se0.38Te0.62,3,0.12,2.0,False,Fe2Se0.76Te1.24,Fe2Se1Te1,13.5,Ferrite,True,Fe50Se19Te31,Fe-Se-Te,3,Supercon,Fe1Se0.38Te0.62,MP-mp-1225136,Fe2Te1Se1,Fe-Se-Te,Fe50Se25Te25,P 4 m m,tetragonal,3.755398,3.755398,5.937717,data/final/MP/cifs/Fe1Se0.38Te0.62-MP-mp-1225136-synth_doped.cif,data/source/MP/raw/cifs/mp-1225136.cif,mp-1225136,0.0,,2019-01-13 01:17:25.998000,6.310824077785493,,,{'GGA': {'task_id': 'mp-1764167'}},0.0802741556250001,4.86336573,520.0,-24.0729629,-6.018240725,{'tags': []},-24.0729629,-6.018240725,-0.3469333980859375,['bandstructure'],True,[],True,2021-05-12 10:58:45.495000,FM,4,5,mp-1225136,,Fe2TeSe,"{'functional': 'PBE', 'labels': ['Fe_pv', 'Te', 'Se'], 'pot_type': 'paw'}","{'Fe': 2.0, 'Te': 1.0, 'Se': 1.0}",GGA,mp-1225136,"['mp-1225136', 'mp-1425562', 'mp-1764167', 'mp-1784460', 'mp-1615275']",0.1061773,"{'Fe': 2.0, 'Te': 1.0, 'Se': 1.0}",83.73970680084179,[],FM,True,99,1,"[0.1, 0.1, -0.0, -0.0]",0.0012679444920021,0.1061773,2,0.1061773,MP,data/source/MP/cleaned/cifs/MP-mp-1225136.cif,True,,data/final/MP/graphs/Fe1Se0.38Te0.62-MP-mp-1225136-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,1,0,0,0,1.0,False
Nb2Se3,3,0.0571428571428571,2.666583333333333,False,Nb5.333Se8,Nb6Se8,2.3,Chevrel,True,Nb40Se60,Nb-Se,2,Supercon,Nb2Se3,MP-mp-561,Nb6Se8,Nb-Se,Nb42.857Se57.143,P 63/m,hexagonal,3.483239,10.173810004649228,10.173810080000004,data/final/MP/cifs/Nb2Se3-MP-mp-561-synth_doped.cif,data/source/MP/raw/cifs/mp-561.cif,mp-561,0.0,,2011-05-15 01:29:18,6.324016540567271,10.17188/1271763,"@misc{osti_1271763,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Se4 (SG:176) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1271763"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1673472'}},0.0,4.30746629,520.0,-100.67683813,-7.191202723571428,"{'tags': ['Niobium(II/III) selenide (3/4)', 'Niobium selenide (3/4)']}",-100.67683813,-7.191202723571428,-1.134122576339285,"['xas', 'bandstructure']",True,"[43281, 602364, 16278]",True,2021-05-12 10:57:21.195000,NM,14,8,mp-561,,Nb3Se4,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Se'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Se': 4.0}",GGA,mp-561,"['mp-924960', 'mp-561', 'mp-924167', 'mp-909129', 'mp-1432702', 'mp-1673472', 'mp-1813722', 'mp-1604797']",2.71e-05,"{'Nb': 6.0, 'Se': 8.0}",312.23469231645544,[],NM,False,176,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.735873730042379e-07,2.71e-05,0,5.42e-05,MP,data/source/MP/cleaned/cifs/MP-mp-561.cif,True,,data/final/MP/graphs/Nb2Se3-MP-mp-561-synth_doped.json,0,True,6/m,0,3,0,0,0,0,0,1,0,0,0,1.0,False
Bi2Mg3,1,0.0,1.0,True,Bi2Mg3,Bi2Mg3,0.0,Other,True,Bi40Mg60,Bi-Mg,2,Supercon,Bi2Mg3,MP-mp-569018,Mg3Bi2,Bi-Mg,Bi40Mg60,P -3 m 1,trigonal,4.722099998146301,4.72210038,7.448957,data/final/MP/cifs/Bi2Mg3-MP-mp-569018.cif,data/source/MP/raw/cifs/mp-569018.cif,mp-569018,0.0,,2014-02-16 08:20:43,5.666621616026668,10.17188/1274898,"@misc{osti_1274898,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Mg3Bi2 (SG:164) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1274898"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1699338'}},0.0,4.13073076,520.0,-13.5647124,-2.71294248,"{'tags': ['Bismuth magnesium (2/3)', 'Magnesium bismuthide (3/2)']}",-13.5647124,-2.71294248,-0.1967607259999997,"['xas', 'elasticity', 'bandstructure']",True,"[659569, 247911]",True,2021-05-12 10:56:22.739000,NM,5,11,mp-569018,,Mg3Bi2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Bi'], 'pot_type': 'paw'}","{'Mg': 3.0, 'Bi': 2.0}",GGA,mp-569018,"['mp-930632', 'mp-913887', 'mp-569018', 'mp-1070261', 'mp-1070248', 'mp-1070287', 'mp-1421763', 'mp-1699338', 'mp-1785529', 'mp-977653', 'mp-1070281']",1e-06,"{'Mg': 3.0, 'Bi': 2.0}",143.8455746618343,[],NM,False,164,0,"[0, 0, 0, 0, 0]",6.951899648987423e-09,1e-06,0,1e-06,MP,data/source/MP/cleaned/cifs/MP-mp-569018.cif,False,,data/final/MP/graphs/Bi2Mg3-MP-mp-569018.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Hg2Mg1,1,0.0,2.0,False,Hg4Mg2,Hg4Mg2,4.0,Other,True,Hg66.667Mg33.333,Hg-Mg,2,Supercon,Hg2Mg1,MP-mp-1185878,Mg2Hg4,Hg-Mg,Hg66.667Mg33.333,C 1 2/m 1,monoclinic,3.5128940016379104,6.154381009999999,7.10627005,data/final/MP/cifs/Hg2Mg1-MP-mp-1185878.cif,data/source/MP/raw/cifs/mp-1185878.cif,mp-1185878,0.0,,2019-01-11 13:53:51.362000,10.160804865754224,,,,0.0198747816666666,3.28484133,520.0,-5.15716726,-0.8595278766666666,{'tags': []},-5.15716726,-0.8595278766666666,-0.1236476166666665,[],False,[],True,2021-05-12 10:59:52.436000,NM,6,3,mp-1185878,,MgHg2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Hg'], 'pot_type': 'paw'}","{'Mg': 1.0, 'Hg': 2.0}",GGA,mp-1185878,"['mp-1185878', 'mp-1444676', 'mp-1778619']",0.00116975,"{'Mg': 2.0, 'Hg': 4.0}",139.07057050836409,[],NM,False,12,0,"[0, 0, 0, 0, 0, 0]",1.6822394496895345e-05,0.00116975,0,0.0023395,MP,data/source/MP/cleaned/cifs/MP-mp-1185878.cif,False,,data/final/MP/graphs/Hg2Mg1-MP-mp-1185878.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
Ba1.78Cu4Sr0.22Y1O8,3,0.0293333333333333,1.0,True,Ba1.78Cu4Sr0.22Y1O8,Ba2Cu4Y1O8,0.0,Cuprate,True,Ba11.867Cu26.667Sr1.467Y6.667O53.333333333333336,Ba-Cu-Sr-Y-O,5,Supercon,Y1Ba1.78Sr0.22Cu4O8,MP-mp-6790,Ba2Y1Cu4O8,Ba-Cu-Y-O,Ba13.333Cu26.667Y6.667O53.333333333333336,C m m m,orthorhombic,3.889922,3.899603999537882,13.88942687,data/final/MP/cifs/Ba1.78Cu4Sr0.22Y1O8-MP-mp-6790-synth_doped.cif,data/source/MP/raw/cifs/mp-6790.cif,mp-6790,0.0,,2011-05-16 03:21:24,5.936250568336678,10.17188/1283441,"@misc{osti_1283441,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2Y(CuO2)4 (SG:65) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1283441"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686864'}},0.0,3.31391536,520.0,-91.58381472,-6.105587648,"{'tags': ['Yttrium barium copper oxide (1/2/4/8)', 'High pressure experimental phase']}",-91.58381472,-6.105587648,-2.0529924817777783,"['xas', 'bandstructure']",True,"[72261, 85273, 74251, 400273, 85277, 85275, 400280, 67632, 85272, 67631, 83920, 66613, 85279, 400277, 75689, 74259, 85278, 85280, 66603, 94265, 400276, 88873, 71417, 75712, 97052, 66605, 72258, 85281, 85274, 400279, 66604, 69698]",True,2021-05-12 10:57:34.594000,NM,15,10,mp-6790,oxide,Ba2Y(CuO2)4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Y_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Y': 1.0, 'Cu': 4.0, 'O': 8.0}",GGA,mp-6790,"['mp-1000664', 'mp-6790', 'mp-1007136', 'mp-1237713', 'mp-1440937', 'mp-1686864', 'mp-1834179', 'mp-1011883', 'mp-1590064', 'mp-1590433']",0.0004643,"{'Ba': 2.0, 'Y': 1.0, 'Cu': 4.0, 'O': 8.0}",208.60454115924333,[],NM,False,65,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.225742533790601e-06,0.0004643,0,0.0004643,MP,data/source/MP/cleaned/cifs/MP-mp-6790.cif,True,,data/final/MP/graphs/Ba1.78Cu4Sr0.22Y1O8-MP-mp-6790-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Cu1Nd0.17Sr0.83O2,3,0.085,2.0,False,Cu2Nd0.34Sr1.66O4,Cu2Sr2O4,35.0,Cuprate,True,Cu25Nd4.25Sr20.75O50,Cu-Nd-Sr-O,4,Supercon,Sr0.83Nd0.17Cu1O2,MP-mp-5787,Sr2Cu2O4,Cu-Sr-O,Cu25Sr25O50,C m c m,orthorhombic,3.644437999912225,3.974263,8.32909336,data/final/MP/cifs/Cu1Nd0.17Sr0.83O2-MP-mp-5787-synth_doped.cif,data/source/MP/raw/cifs/mp-5787.cif,mp-5787,0.0,,2011-05-13 22:43:08,5.167573150857569,10.17188/1276630,"@misc{osti_1276630,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SrCuO2 (SG:63) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276630"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703560'}},0.0,3.45760864,520.0,-45.24374469,-5.65546808625,"{'tags': ['Strontium cuprate', 'Strontium copper oxide']}",-45.24374469,-5.65546808625,-2.0778125529166664,"['xas', 'elasticity', 'bandstructure']",True,"[77291, 93653, 202992, 16217, 83051, 77293]",True,2021-05-12 10:56:27.046000,NM,8,8,mp-5787,oxide,SrCuO2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Cu': 1.0, 'O': 2.0}",GGA,mp-5787,"['mp-924142', 'mp-909103', 'mp-5787', 'mp-924940', 'mp-1475985', 'mp-1703560', 'mp-1802910', 'mp-1593696']",4e-07,"{'Sr': 2.0, 'Cu': 2.0, 'O': 4.0}",117.71572347282628,[],NM,False,63,0,"[0, 0, 0, 0, 0, 0, 0, 0]",6.796033498317439e-09,4e-07,0,8e-07,MP,data/source/MP/cleaned/cifs/MP-mp-5787.cif,True,,data/final/MP/graphs/Cu1Nd0.17Sr0.83O2-MP-mp-5787-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Cu1La1.975Sr0.025O4,2,0.0071428571428571,1.0,True,Cu1La1.975Sr0.025O4,Cu1La2O4,0.0,Cuprate,True,Cu14.286La28.214Sr0.357O57.142857142857146,Cu-La-Sr-O,4,Supercon,La1.975Sr0.025Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La1.975Sr0.025O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La1.975Sr0.025O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba8Ga6Si40,1,0.0,1.0,True,Ba8Ga6Si40,Ba8Ga6Si40,3.3,Other,True,Ba14.815Ga11.111Si74.074,Ba-Ga-Si,3,Supercon,Ba8Si40Ga6,MP-mp-1214507,Ba8Ga6Si40,Ba-Ga-Si,Ba14.815Ga11.111Si74.074,P m -3 n,cubic,10.48044,10.48044,10.48044,data/final/MP/cifs/Ba8Ga6Si40-MP-mp-1214507.cif,data/source/MP/raw/cifs/mp-1214507.cif,mp-1214507,0.0,,2019-01-12 16:20:24.017000,3.808693256865952,,,,0.0433092841203688,6.30398522,520.0,-260.62479815,-4.826385150925926,{'tags': []},-260.62479815,-4.826385150925926,-0.1342943439814813,[],False,[],True,2021-05-12 11:00:35.508000,NM,54,2,mp-1214507,,Ba4Ga3Si20,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ga_d', 'Si'], 'pot_type': 'paw'}","{'Ba': 4.0, 'Ga': 3.0, 'Si': 20.0}",GGA,mp-1214507,"['mp-1214507', 'mp-1327028']",0.00969005,"{'Ba': 8.0, 'Ga': 6.0, 'Si': 40.0}",1151.167574214869,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.6835168427340228e-05,0.00969005,0,0.0193801,MP,data/source/MP/cleaned/cifs/MP-mp-1214507.cif,False,,data/final/MP/graphs/Ba8Ga6Si40-MP-mp-1214507.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Pt1Te2,1,0.0,1.0,True,Pt1Te2,Pt1Te2,0.0,Other,True,Pt33.333Te66.667,Pt-Te,2,Supercon,Pt1Te2,MP-mp-399,Te2Pt1,Pt-Te,Pt33.333Te66.667,P -3 m 1,trigonal,4.092307995665607,4.0923074,5.345008,data/final/MP/cifs/Pt1Te2-MP-mp-399.cif,data/source/MP/raw/cifs/mp-399.cif,mp-399,0.0,,2011-05-12 19:05:05,9.645396398881404,10.17188/1207707,"@misc{osti_1207707,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Te2Pt (SG:164) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207707"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671273'}},0.0,7.31898933,520.0,-13.54858806,-4.51619602,"{'tags': ['Platinum telluride (1/2)', 'Platinum(IV) telluride', 'Moncheite']}",-13.54858806,-4.51619602,-0.6783594966666661,"['xas', 'elasticity', 'bandstructure']",True,"[603741, 105813, 41373, 649753, 649747, 41385]",True,2021-05-12 10:56:20.740000,NM,3,8,mp-399,,Te2Pt,"{'functional': 'PBE', 'labels': ['Te', 'Pt'], 'pot_type': 'paw'}","{'Te': 2.0, 'Pt': 1.0}",GGA,mp-399,"['mp-908020', 'mp-922495', 'mp-923291', 'mp-399', 'mp-1440037', 'mp-1671273', 'mp-1800289', 'mp-1594512']",0.0002797,"{'Te': 2.0, 'Pt': 1.0}",77.52031561415436,[],NM,False,164,0,"[0, 0, 0]",3.6080864452637738e-06,0.0002797,0,0.0002797,MP,data/source/MP/cleaned/cifs/MP-mp-399.cif,False,,data/final/MP/graphs/Pt1Te2-MP-mp-399.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Al0.8Ca1Ga0.2Si1,3,0.1333333333333333,1.0,True,Al0.8Ca1Ga0.2Si1,Al1Ca1Si1,5.6,Other,True,Al26.667Ca33.333Ga6.667Si33.333,Al-Ca-Ga-Si,4,Supercon,Ca1Al0.8Ga0.2Si1,MP-mp-3173,Ca1Al1Si1,Al-Ca-Si,Al33.333Ca33.333Si33.333,P -6 m 2,hexagonal,4.204102004380959,4.20410189,4.381114,data/final/MP/cifs/Al0.8Ca1Ga0.2Si1-MP-mp-3173-synth_doped.cif,data/source/MP/raw/cifs/mp-3173.cif,mp-3173,0.0,,2011-05-12 18:07:21,2.3559907742364445,10.17188/1205871,"@misc{osti_1205871,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CaAlSi (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1205871"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688380'}},0.0042011372222221,5.20030027,520.0,-12.33105355,-4.110351183333333,"{'tags': ['Calcium aluminium silicide (1/1/1) - 1H', 'Calcium aluminium silicide (1/1/1) - (SrPtSb)-type']}",-12.33105355,-4.110351183333333,-0.36118794,"['xas', 'elasticity', 'bandstructure']",True,"[162864, 155853]",True,2021-05-12 10:56:20.740000,NM,3,12,mp-3173,,CaAlSi,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Al', 'Si'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Al': 1.0, 'Si': 1.0}",GGA,mp-3173,"['mp-3173', 'mp-1000446', 'mp-1006914', 'mp-1170858', 'mp-1252945', 'mp-1258722', 'mp-1259938', 'mp-1439603', 'mp-1688380', 'mp-1781727', 'mp-1011629', 'mp-1597142']",0.0033294,"{'Ca': 1.0, 'Al': 1.0, 'Si': 1.0}",67.05970809230726,[],NM,False,187,0,"[0, 0, 0]",4.964829246523266e-05,0.0033294,0,0.0033294,MP,data/source/MP/cleaned/cifs/MP-mp-3173.cif,True,,data/final/MP/graphs/Al0.8Ca1Ga0.2Si1-MP-mp-3173-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Co1O1,1,0.0,1.0,True,Co1O1,Co1O1,0.0,Oxide,True,Co50O50,Co-O,2,Supercon,Co1O1,MP-mp-19079,Co2O2,Co-O,Co50O50,F m -3 m,cubic,3.01182816,3.0162461103539866,3.0287560671965443,data/final/MP/cifs/Co1O1-MP-mp-19079.cif,data/source/MP/raw/cifs/mp-19079.cif,mp-19079,0.0,,2013-12-31 22:40:05,6.309390188369629,10.17188/1193863,"@misc{osti_1193863,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CoO (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1193863"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1674253'}},0.036914996250001,4.51640175,520.0,-24.45242005,-6.1131050125,"{'tags': ['Cobalt(II) oxide', 'Cobalt oxide', 'Cobalt oxide - Li-doped']}",-24.45242005,-6.1131050125,-1.2474656125,"['xas', 'elasticity', 'bandstructure']",True,"[53058, 245320, 29226, 53929, 245324, 29049, 61326, 245321, 245319, 174027, 245323, 76638, 17013, 53059, 28505, 191775, 28506, 53057, 245322, 624580, 9865, 624575, 191776, 29081]",True,2021-05-12 10:56:14.760000,AFM,4,45,mp-19079,oxide,CoO,"{'functional': 'PBE', 'labels': ['Co', 'O'], 'pot_type': 'paw'}","{'Co': 1.0, 'O': 1.0}",GGA+U,mp-19079,"['mp-715442', 'mp-715461', 'mp-796274', 'mp-796283', 'mp-796300', 'mp-796636', 'mp-796644', 'mp-715470', 'mp-797021', 'mp-19079', 'mp-561809', 'mp-19221', 'mp-1059854', 'mp-1060030', 'mp-1059701', 'mp-1061248', 'mp-1061366', 'mp-1061279', 'mp-1232630', 'mp-1232753', 'mp-1232764', 'mp-1232813', 'mp-1232860', 'mp-1232935', 'mp-550046', 'mp-1295919', 'mp-1279353', 'mp-1280468', 'mp-1283913', 'mp-1289774', 'mp-1282014', 'mp-1287716', 'mp-1296699', 'mp-1284477', 'mp-1440929', 'mp-1656107', 'mp-1674253', 'mp-1792040', 'mp-797519', 'mp-1596221', 'mp-1592520', 'mp-797398', 'mp-797375', 'mp-1059913', 'mp-1061324']",0.0,"{'Co': 2.0, 'O': 2.0}",39.442322520670935,[],AFM,True,2,1,"[-2.7, 2.7, 0.0, 0.0]",0.0,0.0,2,0.0,MP,data/source/MP/cleaned/cifs/MP-mp-19079.cif,False,,data/final/MP/graphs/Co1O1-MP-mp-19079.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
C1Fe0.3Mg1Ni2.7,3,0.1199999999999999,1.0,True,C1Fe0.3Mg1Ni2.7,C1Mg1Ni3,6.88,Other,True,C20Fe6Mg20Ni54,C-Fe-Mg-Ni,4,Supercon,Mg1C1Ni2.7Fe0.3,MP-mp-10700,Mg1Ni3C1,C-Mg-Ni,C20Mg20Ni60,P m -3 m,cubic,3.810209,3.810209,3.810209,data/final/MP/cifs/C1Fe0.3Mg1Ni2.7-MP-mp-10700-synth_doped.cif,data/source/MP/raw/cifs/mp-10700.cif,mp-10700,0.0,,2011-05-28 10:04:44,6.376007671789427,10.17188/1187303,"@misc{osti_1187303,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MgNi3C (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187303"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1678621'}},0.0,6.64260176,520.0,-28.85099542,-5.770199084,{'tags': ['Magnesium nickel carbide (1/3/1)']},-28.85099542,-5.770199084,-0.1367049259999994,"['xas', 'elasticity', 'bandstructure']",True,[77152],True,2021-05-12 10:56:10.715000,NM,5,8,mp-10700,,MgNi3C,"{'functional': 'PBE', 'labels': ['Mg_pv', 'Ni_pv', 'C'], 'pot_type': 'paw'}","{'Mg': 1.0, 'Ni': 3.0, 'C': 1.0}",GGA,mp-10700,"['mp-927245', 'mp-927653', 'mp-911184', 'mp-10700', 'mp-1438083', 'mp-1678621', 'mp-1791467', 'mp-1591421']",0.0387875,"{'Mg': 1.0, 'Ni': 3.0, 'C': 1.0}",55.31544309398296,[],NM,False,221,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",0.0007012056277683,0.0387875,0,0.0387875,MP,data/source/MP/cleaned/cifs/MP-mp-10700.cif,True,,data/final/MP/graphs/C1Fe0.3Mg1Ni2.7-MP-mp-10700-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Cu3Gd0.4Pr0.6O7,2,0.0153846153846153,2.0,False,Ba4Cu6Gd0.8Pr1.2O14,Ba4Cu6Gd1Pr1O14,0.0,Cuprate,True,Ba15.385Cu23.077Gd3.077Pr4.615O53.84615384615385,Ba-Cu-Gd-Pr-O,5,Supercon,Gd0.4Pr0.6Ba2Cu3O7,MP-mp-1228407,Ba4Pr1Gd1Cu6O14,Ba-Cu-Gd-Pr-O,Ba15.385Cu23.077Gd3.846Pr3.846O53.84615384615385,P m m m,orthorhombic,3.87425218,3.94743505,23.78525786,data/final/MP/cifs/Ba2Cu3Gd0.4Pr0.6O7-MP-mp-1228407-synth_doped.cif,data/source/MP/raw/cifs/mp-1228407.cif,mp-1228407,0.0,,2019-01-13 04:07:24.010000,6.631690218019455,,,,0.0335117883333344,3.22589413,520.0,-166.76646275,-6.4140947211538455,{'tags': []},-166.76646275,-6.4140947211538455,-2.15326399826923,[],False,[],True,2021-05-12 11:00:59.151000,FM,26,1,mp-1228407,oxide,Ba4PrGd(Cu3O7)2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pr_3', 'Gd', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 4.0, 'Pr': 1.0, 'Gd': 1.0, 'Cu': 6.0, 'O': 14.0}",GGA,mp-1228407,['mp-1228407'],6.9161964,"{'Ba': 4.0, 'Pr': 1.0, 'Gd': 1.0, 'Cu': 6.0, 'O': 14.0}",363.7564837421221,[],FM,True,47,1,"[-0.0, -0.0, -0.0, -0.0, -0.0, 6.9, -0.0, 0.0, -0.0, 0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0190132594444779,6.9161964,1,6.9161964,MP,data/source/MP/cleaned/cifs/MP-mp-1228407.cif,True,,data/final/MP/graphs/Ba2Cu3Gd0.4Pr0.6O7-MP-mp-1228407-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Cr0.57Mo0.43,3,0.1399999999999999,2.0,False,Cr1.14Mo0.86,Cr1Mo1,0.03,Other,True,Cr57Mo43,Cr-Mo,2,Supercon,Cr0.57Mo0.43,MP-mp-1226200,Cr1Mo1,Cr-Mo,Cr50Mo50,C m m m,orthorhombic,2.65445083,2.65445083,4.22062421,data/final/MP/cifs/Cr0.57Mo0.43-MP-mp-1226200-synth_doped.cif,data/source/MP/raw/cifs/mp-1226200.cif,mp-1226200,0.0,,2019-01-13 02:12:14.151000,8.786506534983348,,,,0.1163129200000003,7.66612065,520.0,-20.26606466,-10.13303233,{'tags': []},-20.26606466,-10.13303233,0.1163129200000003,[],False,[],True,2021-05-12 11:00:56.634000,NM,2,2,mp-1226200,,CrMo,"{'functional': 'PBE', 'labels': ['Cr_pv', 'Mo_pv'], 'pot_type': 'paw'}","{'Cr': 1.0, 'Mo': 1.0}",GGA,mp-1226200,"['mp-1226200', 'mp-1934530']",0.0022757,"{'Cr': 1.0, 'Mo': 1.0}",27.958059603367698,[],NM,False,65,0,"[0.0, -0.0]",8.139692211421852e-05,0.0022757,0,0.0022757,MP,data/source/MP/cleaned/cifs/MP-mp-1226200.cif,True,,data/final/MP/graphs/Cr0.57Mo0.43-MP-mp-1226200-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Ga1Ti0.246V2.754,3,0.123,2.0,False,Ga2Ti0.492V5.508,Ga2V6,13.4,Other,True,Ga25Ti6.15V68.85,Ga-Ti-V,3,Supercon,V2.754Ti0.246Ga1,MP-mp-22568,V6Ga2,Ga-V,Ga25V75,P m -3 n,cubic,4.789645,4.789645,4.789645,data/final/MP/cifs/Ga1Ti0.246V2.754-MP-mp-22568-synth_doped.cif,data/source/MP/raw/cifs/mp-22568.cif,mp-22568,0.0,,2014-02-22 11:36:40,6.726541666276222,10.17188/1198793,"@misc{osti_1198793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686867'}},0.0,5.67452231,520.0,-61.95244347,-7.74405543375,{'tags': ['Gallium vanadium (1/3)']},-61.95244347,-7.74405543375,-0.1741018756249994,"['xas', 'elasticity', 'bandstructure']",True,"[635643, 635628, 635619, 635634, 104021, 635646, 635604, 635610, 635617, 635624, 635626, 635605, 635631, 635625, 635636, 635603, 104020, 635616, 635607]",True,2021-05-12 10:56:16.728000,FM,8,9,mp-22568,,V3Ga,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ga': 1.0}",GGA,mp-22568,"['mp-941343', 'mp-941663', 'mp-934924', 'mp-22568', 'mp-1440749', 'mp-1686867', 'mp-1804076', 'mp-1593784', 'mp-1595713']",0.09063635,"{'V': 6.0, 'Ga': 2.0}",109.87780534443452,[],FM,True,131,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0, -0.0, -0.0]",0.0016497662965852,0.09063635,2,0.1812727,MP,data/source/MP/cleaned/cifs/MP-mp-22568.cif,True,,data/final/MP/graphs/Ga1Ti0.246V2.754-MP-mp-22568-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B2Cu0.05Mg0.95,2,0.0333333333333333,1.0,True,B2Cu0.05Mg0.95,B2Mg1,37.75,Other,True,B66.667Cu1.667Mg31.667,B-Cu-Mg,3,Supercon,Mg0.95Cu0.05B2,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B2Cu0.05Mg0.95-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B2Cu0.05Mg0.95-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
N1W2,1,0.0,3.0,False,N3W6,N3W6,0.0,Other,True,N33.333W66.667,N-W,2,Supercon,N1W2,MP-mp-27943,W6N3,N-W,N33.333W66.667,P -3 m 1,trigonal,2.8352060046885383,2.83520564,17.656657,data/final/MP/cifs/N1W2-MP-mp-27943.cif,data/source/MP/raw/cifs/mp-27943.cif,mp-27943,0.0,,2014-02-25 21:27:36,15.4692444726509,10.17188/1202097,"@misc{osti_1202097,
    author = ""Persson, Kristin"",
    title = ""Materials Data on W2N (SG:164) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1202097"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704536'}},0.7537459072222159,6.7590579,520.0,-98.12713269,-10.903014743333332,{'tags': []},-98.12713269,-10.903014743333332,0.3942345450000017,"['xas', 'bandstructure']",True,[30354],True,2021-05-12 10:57:03.017000,NM,9,9,mp-27943,,W2N,"{'functional': 'PBE', 'labels': ['W_pv', 'N'], 'pot_type': 'paw'}","{'W': 2.0, 'N': 1.0}",GGA,mp-27943,"['mp-1007035', 'mp-1000558', 'mp-504761', 'mp-27943', 'mp-1418940', 'mp-1704536', 'mp-1803568', 'mp-1011779', 'mp-1587700']",0.0009761,"{'W': 6.0, 'N': 3.0}",122.91595966542148,[],NM,False,156,0,"[0.0, 0.0, 0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.3823594657446137e-05,0.0009761,0,0.0029283,MP,data/source/MP/cleaned/cifs/MP-mp-27943.cif,False,,data/final/MP/graphs/N1W2-MP-mp-27943.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
B2C1Ni2Tb0.6Y0.4,2,0.0333333333333333,2.0,False,B4C2Ni4Tb1.2Y0.8,B4C2Ni4Tb1Y1,0.0,Other,True,B33.333C16.667Ni33.333Tb10Y6.667,B-C-Ni-Tb-Y,5,Supercon,Y0.4Tb0.6Ni2B2C1,MP-mp-1217431,Tb1Y1Ni4B4C2,B-C-Ni-Tb-Y,B33.333C16.667Ni33.333Tb8.333Y8.333,P 4/m m m,tetragonal,3.539436,3.539436,10.45541,data/final/MP/cifs/B2C1Ni2Tb0.6Y0.4-MP-mp-1217431-synth_doped.cif,data/source/MP/raw/cifs/mp-1217431.cif,mp-1217431,0.0,,2019-01-12 18:46:06.865000,6.97108030500507,,,,0.0041270833333326,6.7890327,520.0,-85.48190522,-7.123492101666667,{'tags': []},-85.48190522,-7.123492101666667,-0.5074494002777771,[],False,[],True,2021-05-12 11:00:40.103000,NM,12,2,mp-1217431,,TbYNi4(B2C)2,"{'functional': 'PBE', 'labels': ['Tb_3', 'Y_sv', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Tb': 1.0, 'Y': 1.0, 'Ni': 4.0, 'B': 4.0, 'C': 2.0}",GGA,mp-1217431,"['mp-1217431', 'mp-1878575']",0.0057348,"{'Tb': 1.0, 'Y': 1.0, 'Ni': 4.0, 'B': 4.0, 'C': 2.0}",130.98126957504488,[],NM,False,123,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",4.37833593963928e-05,0.0057348,0,0.0057348,MP,data/source/MP/cleaned/cifs/MP-mp-1217431.cif,True,,data/final/MP/graphs/B2C1Ni2Tb0.6Y0.4-MP-mp-1217431-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Cu1La2O4.0625,2,0.0075853350189633,0.9847051282051282,True,Cu0.985La1.969O4,Cu1La2O4,17.0,Cuprate,True,Cu14.159La28.319O57.522123893805315,Cu-La-O,3,Supercon,La2Cu1O4.0625,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La2O4.0625-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La2O4.0625-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Os1Si1,1,0.0,4.0,False,Os4Si4,Os4Si4,0.0,Other,True,Os50Si50,Os-Si,2,Supercon,Os1Si1,MP-mp-2488,Si4Os4,Os-Si,Os50Si50,P 21 3,cubic,4.794101,4.794101,4.794101,data/final/MP/cifs/Os1Si1-MP-mp-2488.cif,data/source/MP/raw/cifs/mp-2488.cif,mp-2488,0.6209000000000007,,2011-05-13 16:33:58,13.16049188599396,10.17188/1200292,"@misc{osti_1200292,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SiOs (SG:198) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200292"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688481'}},0.0478653408333347,9.74378325,520.0,-69.52175952,-8.69021994,"{'tags': ['Osmium silicide (1/1)', 'Osmium silicide']}",-69.52175952,-8.69021994,-0.3283798024999989,"['piezo', 'xas', 'bandstructure', 'diel', 'phonons', 'elasticity']",True,"[79232, 647777, 15692]",True,2021-05-12 10:56:16.728000,NM,8,13,mp-2488,,SiOs,"{'functional': 'PBE', 'labels': ['Si', 'Os_pv'], 'pot_type': 'paw'}","{'Si': 1.0, 'Os': 1.0}",GGA,mp-2488,"['mp-660777', 'mp-670362', 'mp-2488', 'mp-1079369', 'mp-1138742', 'mp-1140285', 'mp-1146536', 'mp-1114998', 'mp-1300987', 'mp-1688481', 'mp-1803377', 'mp-1587592', 'mp-688177']",5e-08,"{'Si': 4.0, 'Os': 4.0}",110.18476200881985,[],NM,False,198,0,"[0, 0, 0, 0, 0, 0, 0, 0]",1.815133021605935e-09,5e-08,0,2e-07,MP,data/source/MP/cleaned/cifs/MP-mp-2488.cif,False,,data/final/MP/graphs/Os1Si1-MP-mp-2488.json,0,True,23,1,0,0,0,0,0,0,1,0,0,0,1.0,False
Ge13Lu3Rh4,1,0.0,2.0,False,Ge26Lu6Rh8,Ge26Lu6Rh8,2.3,Other,True,Ge65Lu15Rh20,Ge-Lu-Rh,3,Supercon,Lu3Rh4Ge13,MP-mp-21750,Lu6Ge26Rh8,Ge-Lu-Rh,Ge65Lu15Rh20,P m -3 n,cubic,8.986592,8.986592,8.986592,data/final/MP/cifs/Ge13Lu3Rh4-MP-mp-21750.cif,data/source/MP/raw/cifs/mp-21750.cif,mp-21750,0.0,,2014-02-18 13:36:16,8.60689617290661,10.17188/1197149,"@misc{osti_1197149,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Lu3Ge13Rh4 (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197149"",
    place = ""United States"",
    year = ""2016"",
    month = ""5"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1682279'}},0.0278312942105269,6.52983559,520.0,-226.48421899,-5.66210547475,{'tags': ['Lutetium rhodium germanide (3/4/13)']},-226.48421899,-5.66210547475,-0.5061332169999992,['xas'],False,"[636932, 90201]",True,2021-05-12 10:56:59.077000,NM,40,6,mp-21750,,Lu3Ge13Rh4,"{'functional': 'PBE', 'labels': ['Lu_3', 'Ge_d', 'Rh_pv'], 'pot_type': 'paw'}","{'Lu': 3.0, 'Ge': 13.0, 'Rh': 4.0}",GGA,mp-21750,"['mp-997669', 'mp-21750', 'mp-1199022', 'mp-1324068', 'mp-1682279', 'mp-1865935']",0.0015121,"{'Lu': 6.0, 'Ge': 26.0, 'Rh': 8.0}",725.746707500112,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.16701855998366e-06,0.0015121,0,0.0030242,MP,data/source/MP/cleaned/cifs/MP-mp-21750.cif,False,,data/final/MP/graphs/Ge13Lu3Rh4-MP-mp-21750.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
La3Pd4Si4,1,0.0,1.0,True,La3Pd4Si4,La3Pd4Si4,2.065,Other,True,La27.273Pd36.364Si36.364,La-Pd-Si,3,Supercon,La3Pd4Si4,MP-mp-568625,La3Si4Pd4,La-Pd-Si,La27.273Pd36.364Si36.364,I m m m,orthorhombic,4.243019998755582,4.305307998474009,12.76334818,data/final/MP/cifs/La3Pd4Si4-MP-mp-568625.cif,data/source/MP/raw/cifs/mp-568625.cif,mp-568625,0.0,,2014-02-16 11:12:14,6.998754092214012,10.17188/1274555,"@misc{osti_1274555,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La3(SiPd)4 (SG:71) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1274555"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698783'}},0.0257699697727256,7.56710085,520.0,-67.54007467,-6.140006788181818,{'tags': ['Lanthanum palladium silicide (3/4/4)']},-67.54007467,-6.140006788181818,-0.9115700031818168,"['xas', 'bandstructure']",True,[156998],True,2021-05-12 10:57:24.969000,NM,11,6,mp-568625,,La3(SiPd)4,"{'functional': 'PBE', 'labels': ['La', 'Si', 'Pd'], 'pot_type': 'paw'}","{'La': 3.0, 'Si': 4.0, 'Pd': 4.0}",GGA,mp-568625,"['mp-568625', 'mp-1156583', 'mp-1425385', 'mp-1698783', 'mp-1935020', 'mp-1608590']",0.0029026,"{'La': 3.0, 'Si': 4.0, 'Pd': 4.0}",226.5232364646552,[],NM,False,71,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.281369649004153e-05,0.0029026,0,0.0029026,MP,data/source/MP/cleaned/cifs/MP-mp-568625.cif,False,,data/final/MP/graphs/La3Pd4Si4-MP-mp-568625.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,1.0,False
Pd2Sc1Sn1,1,0.0,1.0,True,Pd2Sc1Sn1,Pd2Sc1Sn1,2.1225,Other,True,Pd50Sc25Sn25,Pd-Sc-Sn,3,Supercon,Sc1Pd2Sn1,MP-mp-4897,Sc1Sn1Pd2,Pd-Sc-Sn,Pd50Sc25Sn25,F m -3 m,cubic,4.66385288,4.663852879999999,4.663852879999999,data/final/MP/cifs/Pd2Sc1Sn1-MP-mp-4897.cif,data/source/MP/raw/cifs/mp-4897.cif,mp-4897,0.0,,2011-05-13 01:00:47,8.715681828792489,10.17188/1208473,"@misc{osti_1208473,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ScSnPd2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208473"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1674383'}},0.0,6.95430887,520.0,-24.2133296,-6.0533324,{'tags': ['Palladium scandium tin (2/1/1)']},-24.2133296,-6.0533324,-0.8778812550000001,"['xas', 'elasticity', 'bandstructure']",True,"[105675, 601324, 105676]",True,2021-05-12 10:56:20.740000,NM,4,8,mp-4897,,ScSnPd2,"{'functional': 'PBE', 'labels': ['Sc_sv', 'Sn_d', 'Pd'], 'pot_type': 'paw'}","{'Sc': 1.0, 'Sn': 1.0, 'Pd': 2.0}",GGA,mp-4897,"['mp-1001653', 'mp-1008088', 'mp-4897', 'mp-1438925', 'mp-1674383', 'mp-1798544', 'mp-1012413', 'mp-1593905']",4.83e-05,"{'Sc': 1.0, 'Sn': 1.0, 'Pd': 2.0}",71.73308846778775,[],NM,False,225,0,"[0, 0, 0, 0]",6.733294359922821e-07,4.83e-05,0,4.83e-05,MP,data/source/MP/cleaned/cifs/MP-mp-4897.cif,False,,data/final/MP/graphs/Pd2Sc1Sn1-MP-mp-4897.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
As2Fe2Sc2Sr4O6,1,0.0,1.0,True,As2Fe2Sc2Sr4O6,As2Fe2Sc2Sr4O6,0.0,Ferrite,True,As12.5Fe12.5Sc12.5Sr25O37.5,As-Fe-Sc-Sr-O,5,Supercon,Fe2As2Sr4Sc2O6,MP-mp-1105960,Sr4Sc2Fe2As2O6,As-Fe-Sc-Sr-O,As12.5Fe12.5Sc12.5Sr25O37.5,P 4/n m m,tetragonal,4.127171,4.127171,16.335296,data/final/MP/cifs/As2Fe2Sc2Sr4O6-MP-mp-1105960.cif,data/source/MP/raw/cifs/mp-1105960.cif,mp-1105960,0.0,,2018-07-19 07:02:21,4.761867297835467,,,,0.0989597082812503,3.83347235,520.0,-106.29878853,-6.643674283125,{'tags': ['Diiron diarsenide tetrastrontium discandium hexaoxide']},-106.29878853,-6.643674283125,-2.4727410479166663,[],False,[180528],True,2021-05-12 10:59:33.162000,FM,16,3,mp-1105960,oxide,Sr2ScFeAsO3,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Sc_sv', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Sc': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 3.0}",GGA+U,mp-1105960,"['mp-1105960', 'mp-1934244', 'mp-1987830']",3.9089252,"{'Sr': 4.0, 'Sc': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 6.0}",278.2479253950188,[],FM,True,129,1,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0280967068807477,3.9089252,2,7.8178504,MP,data/source/MP/cleaned/cifs/MP-mp-1105960.cif,False,,data/final/MP/graphs/As2Fe2Sc2Sr4O6-MP-mp-1105960.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Fe0.09La1Ru2.91Si2,2,0.0299999999999999,1.0,True,Fe0.09La1Ru2.91Si2,La1Ru3Si2,0.0,Other,True,Fe1.5La16.667Ru48.5Si33.333,Fe-La-Ru-Si,4,Supercon,La1Ru2.91Fe0.09Si2,MP-mp-29240,La2Si4Ru6,La-Ru-Si,La16.667Ru50Si33.333,P 6/m m m,hexagonal,3.6088705,5.693851997310984,5.69385245,data/final/MP/cifs/Fe0.09La1Ru2.91Si2-MP-mp-29240-synth_doped.cif,data/source/MP/raw/cifs/mp-29240.cif,mp-29240,0.0,,2014-02-24 11:42:03,8.166084465628895,10.17188/1203620,"@misc{osti_1203620,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaSi2Ru3 (SG:193) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1203620"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1719509'}},0.0844490616666675,8.56766587,520.0,-95.13702135,-7.9280851125,{'tags': []},-95.13702135,-7.9280851125,-0.6361177608333328,"['xas', 'bandstructure']",True,[],True,2021-05-12 10:57:03.017000,NM,12,10,mp-29240,,LaSi2Ru3,"{'functional': 'PBE', 'labels': ['La', 'Si', 'Ru_pv'], 'pot_type': 'paw'}","{'La': 1.0, 'Si': 2.0, 'Ru': 3.0}",GGA,mp-29240,"['mp-925171', 'mp-924493', 'mp-909454', 'mp-29240', 'mp-1172476', 'mp-1254946', 'mp-1406081', 'mp-1719509', 'mp-1834844', 'mp-1618500']",0.00014945,"{'La': 2.0, 'Si': 4.0, 'Ru': 6.0}",202.6489324904347,[],NM,False,38,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, 0.0, 0.0, 0.0, -0.0]",1.4749645918520125e-06,0.00014945,0,0.0002989,MP,data/source/MP/cleaned/cifs/MP-mp-29240.cif,True,,data/final/MP/graphs/Fe0.09La1Ru2.91Si2-MP-mp-29240-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
La7Ni3,1,0.0,2.0,False,La14Ni6,La14Ni6,2.1,Other,True,La70Ni30,La-Ni,2,Supercon,La7Ni3,MP-mp-573855,La14Ni6,La-Ni,La70Ni30,P 63 m c,hexagonal,6.468251,10.109404003425496,10.10940428,data/final/MP/cifs/La7Ni3-MP-mp-573855.cif,data/source/MP/raw/cifs/mp-573855.cif,mp-573855,0.0,,2014-02-23 22:31:32,6.662092409389634,10.17188/1276529,"@misc{osti_1276529,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La7Ni3 (SG:186) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276529"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1766860'}},0.0,8.03333621,520.0,-108.3135858,-5.41567929,{'tags': ['Lanthanum nickel (7/3)']},-108.3135858,-5.41567929,-0.2264333125,"['xas', 'bandstructure']",True,"[641512, 104680, 104681]",True,2021-05-12 10:57:26.891000,NM,20,8,mp-573855,,La7Ni3,"{'functional': 'PBE', 'labels': ['La', 'Ni_pv'], 'pot_type': 'paw'}","{'La': 7.0, 'Ni': 3.0}",GGA,mp-573855,"['mp-929585', 'mp-929153', 'mp-912610', 'mp-573855', 'mp-1382445', 'mp-1766860', 'mp-1937068', 'mp-1637781']",0.0012676,"{'La': 14.0, 'Ni': 6.0}",572.4909383613596,[],NM,False,186,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.42836703626524e-06,0.0012676,0,0.0025352,MP,data/source/MP/cleaned/cifs/MP-mp-573855.cif,False,,data/final/MP/graphs/La7Ni3-MP-mp-573855.json,0,True,6mm,0,5,0,0,0,0,0,1,0,0,0,1.0,False
B2C1La0.08Lu0.92Ni2,2,0.0266666666666666,1.0,True,B2C1La0.08Lu0.92Ni2,B2C1Lu1Ni2,13.6,Other,True,B33.333C16.667La1.333Lu15.333Ni33.333,B-C-La-Lu-Ni,5,Supercon,Lu0.92La0.08Ni2B2C1,MP-mp-6544,Lu1Ni2B2C1,B-C-Lu-Ni,B33.333C16.667Lu16.667Ni33.333,I 4/m m m,tetragonal,3.4660159989239463,3.4660159989239463,5.81490896,data/final/MP/cifs/B2C1La0.08Lu0.92Ni2-MP-mp-6544-synth_doped.cif,data/source/MP/raw/cifs/mp-6544.cif,mp-6544,0.0,,2011-05-13 04:17:06,8.54504130524706,10.17188/1281287,"@misc{osti_1281287,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LuNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281287"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702891'}},0.0,6.71335166,520.0,-41.78223818,-6.963706363333333,{'tags': []},-41.78223818,-6.963706363333333,-0.5192416763888884,"['xas', 'bandstructure']",True,"[75609, 83230, 79564]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6544,,LuNi2B2C,"{'functional': 'PBE', 'labels': ['Lu_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6544,"['mp-1000584', 'mp-1007055', 'mp-6544', 'mp-1441469', 'mp-1702891', 'mp-1783160', 'mp-1011794', 'mp-1588498']",0.0023161,"{'Lu': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",63.34823894903922,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",3.656139520884231e-05,0.0023161,0,0.0023161,MP,data/source/MP/cleaned/cifs/MP-mp-6544.cif,True,,data/final/MP/graphs/B2C1La0.08Lu0.92Ni2-MP-mp-6544-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2Ir3Nd1,1,0.0,1.0,True,B2Ir3Nd1,B2Ir3Nd1,0.0,Other,True,B33.333Ir50Nd16.667,B-Ir-Nd,3,Supercon,Nd1Ir3B2,MP-mp-1025068,Nd1B2Ir3,B-Ir-Nd,B33.333Ir50Nd16.667,P 6/m m m,hexagonal,3.118012,5.564072000969156,5.5640722600000005,data/final/MP/cifs/B2Ir3Nd1-MP-mp-1025068.cif,data/source/MP/raw/cifs/mp-1025068.cif,mp-1025068,0.0,,2016-09-29 16:54:25,14.748926305129372,10.17188/1355239,"@article{osti_1355239,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NdB2Ir3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1355239"",
    place = ""United States"",
    year = ""2017"",
    month = ""5""
}
",{'GGA': {'task_id': 'mp-1704530'}},0.0,7.89356205,520.0,-48.47960045,-8.079933408333334,"{'tags': ['NdIr3B2', 'Neodymium iridium boride (1/3/2)', 'ErIr3B2']}",-48.47960045,-8.079933408333334,-0.6395637397222226,['bandstructure'],True,[614546],True,2021-05-12 10:58:09.072000,NM,6,5,mp-1025068,,NdB2Ir3,"{'functional': 'PBE', 'labels': ['Nd_3', 'B', 'Ir'], 'pot_type': 'paw'}","{'Nd': 1.0, 'B': 2.0, 'Ir': 3.0}",GGA,mp-1025068,"['mp-1025068', 'mp-1425531', 'mp-1704530', 'mp-1800402', 'mp-1589463']",0.0005243,"{'Nd': 1.0, 'B': 2.0, 'Ir': 3.0}",83.5976219236851,[],NM,False,191,0,"[0, 0, 0, 0, 0, 0]",6.271709504830471e-06,0.0005243,0,0.0005243,MP,data/source/MP/cleaned/cifs/MP-mp-1025068.cif,False,,data/final/MP/graphs/B2Ir3Nd1-MP-mp-1025068.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As1F0.06Fe1Sm1O0.94,2,0.03,2.0,False,As2F0.12Fe2Sm2O1.88,As2Fe2Sm2O2,36.4,Ferrite,True,As25F1.5Fe25Sm25O23.5,As-F-Fe-Sm-O,5,Supercon,Sm1Fe1As1F0.06O0.94,MP-mp-20349,Sm2Fe2As2O2,As-Fe-Sm-O,As25Fe25Sm25O25,P 4/n m m,tetragonal,4.026492,4.026492,9.046755,data/final/MP/cifs/As1F0.06Fe1Sm1O0.94-MP-mp-20349-synth_doped.cif,data/source/MP/raw/cifs/mp-20349.cif,mp-20349,0.0,,2014-02-19 11:24:42,6.727802583283198,,,{'GGA+U': {'task_id': 'mp-1695938'}},0.3015723809374986,3.77685593,520.0,-52.73407138,-6.5917589225,{'tags': ['Samarium iron arsenic oxide (1/1/1/1)']},-52.73407138,-6.5917589225,-1.6285904237499995,"['xas', 'elasticity', 'bandstructure']",True,"[236652, 236653, 422002, 163457, 163458]",True,2021-05-12 10:56:16.728000,FM,8,10,mp-20349,oxide,SmFeAsO,"{'functional': 'PBE', 'labels': ['Sm_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sm': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-20349,"['mp-24944', 'mp-1078897', 'mp-1079866', 'mp-1173321', 'mp-20349', 'mp-1425472', 'mp-1695938', 'mp-1772503', 'mp-1789694', 'mp-1588381']",3.75729895,"{'Sm': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",146.67176231613362,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, -0.0, -0.0, -0.0, -0.0]",0.0512341147425717,3.75729895,2,7.5145979,MP,data/source/MP/cleaned/cifs/MP-mp-20349.cif,True,,data/final/MP/graphs/As1F0.06Fe1Sm1O0.94-MP-mp-20349-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Nd2S3,1,0.0,4.0,False,Nd8S12,Nd8S12,0.0,Other,True,Nd40S60,Nd-S,2,Supercon,Nd2S3,MP-mp-438,Nd8S12,Nd-S,Nd40S60,P n m a,orthorhombic,4.058002,7.51306,15.683264,data/final/MP/cifs/Nd2S3-MP-mp-438.cif,data/source/MP/raw/cifs/mp-438.cif,mp-438,0.7604000000000002,,2011-05-16 14:32:50,5.343699159634652,10.17188/1208113,"@misc{osti_1208113,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nd2S3 (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208113"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1674091'}},0.0,3.78755773,520.0,-128.96908077,-6.4484540385,"{'tags': ['Neodymium sulfide - A', 'Neodymium sesquisulfide']}",-128.96908077,-6.4484540385,-2.3611268343750007,"['xas', 'elasticity', 'bandstructure']",True,"[645834, 108979, 72290, 645850]",True,2021-05-12 10:56:20.740000,NM,20,10,mp-438,,Nd2S3,"{'functional': 'PBE', 'labels': ['Nd_3', 'S'], 'pot_type': 'paw'}","{'Nd': 2.0, 'S': 3.0}",GGA,mp-438,"['mp-660755', 'mp-670376', 'mp-438', 'mp-1188343', 'mp-1189435', 'mp-1426935', 'mp-1674091', 'mp-1821898', 'mp-1630047', 'mp-688116']",0.00157875,"{'Nd': 8.0, 'S': 12.0}",478.1515489687816,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.3207109782702608e-05,0.00157875,0,0.006315,MP,data/source/MP/cleaned/cifs/MP-mp-438.cif,False,,data/final/MP/graphs/Nd2S3-MP-mp-438.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
As1Co0.175Fe0.825Sm1O1,3,0.0875,2.0,False,As2Co0.35Fe1.65Sm2O2,As2Fe2Sm2O2,5.8,Ferrite,True,As25Co4.375Fe20.625Sm25O25,As-Co-Fe-Sm-O,5,Supercon,Sm1Fe0.825Co0.175As1O1,MP-mp-20349,Sm2Fe2As2O2,As-Fe-Sm-O,As25Fe25Sm25O25,P 4/n m m,tetragonal,4.026492,4.026492,9.046755,data/final/MP/cifs/As1Co0.175Fe0.825Sm1O1-MP-mp-20349-synth_doped.cif,data/source/MP/raw/cifs/mp-20349.cif,mp-20349,0.0,,2014-02-19 11:24:42,6.727802583283198,,,{'GGA+U': {'task_id': 'mp-1695938'}},0.3015723809374986,3.77685593,520.0,-52.73407138,-6.5917589225,{'tags': ['Samarium iron arsenic oxide (1/1/1/1)']},-52.73407138,-6.5917589225,-1.6285904237499995,"['xas', 'elasticity', 'bandstructure']",True,"[236652, 236653, 422002, 163457, 163458]",True,2021-05-12 10:56:16.728000,FM,8,10,mp-20349,oxide,SmFeAsO,"{'functional': 'PBE', 'labels': ['Sm_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sm': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-20349,"['mp-24944', 'mp-1078897', 'mp-1079866', 'mp-1173321', 'mp-20349', 'mp-1425472', 'mp-1695938', 'mp-1772503', 'mp-1789694', 'mp-1588381']",3.75729895,"{'Sm': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",146.67176231613362,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, -0.0, -0.0, -0.0, -0.0]",0.0512341147425717,3.75729895,2,7.5145979,MP,data/source/MP/cleaned/cifs/MP-mp-20349.cif,True,,data/final/MP/graphs/As1Co0.175Fe0.825Sm1O1-MP-mp-20349-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Pd2Sn1Tm0.25Y0.75,3,0.125,1.0,True,Pd2Sn1Tm0.25Y0.75,Pd2Sn1Y1,3.73,Other,True,Pd50Sn25Tm6.25Y18.75,Pd-Sn-Tm-Y,4,Supercon,Pd2Y0.75Tm0.25Sn1,MP-mp-5538,Y1Sn1Pd2,Pd-Sn-Y,Pd50Sn25Y25,F m -3 m,cubic,4.81595014,4.81595014,4.81595014,data/final/MP/cifs/Pd2Sn1Tm0.25Y0.75-MP-mp-5538-synth_doped.cif,data/source/MP/raw/cifs/mp-5538.cif,mp-5538,0.0,,2011-05-13 01:04:13,8.839720826473608,10.17188/1267618,"@misc{osti_1267618,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YSnPd2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1267618"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687523'}},0.0,6.33853657,520.0,-24.32859047,-6.0821476175,"{'tags': ['Palladium yttrium stannide (2/1/1)', 'Palladium tin yttrium (2/1/1)']}",-24.32859047,-6.0821476175,-0.873195970416667,"['xas', 'elasticity', 'bandstructure']",True,"[105699, 648949, 105700, 424011, 648950]",True,2021-05-12 10:56:22.739000,NM,4,12,mp-5538,,YSnPd2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Sn_d', 'Pd'], 'pot_type': 'paw'}","{'Y': 1.0, 'Sn': 1.0, 'Pd': 2.0}",GGA,mp-5538,"['mp-1008093', 'mp-1001657', 'mp-5538', 'mp-1065654', 'mp-1065644', 'mp-1065683', 'mp-1439031', 'mp-1687523', 'mp-1801498', 'mp-1012418', 'mp-1593849', 'mp-1065696']",0.0001592,"{'Y': 1.0, 'Sn': 1.0, 'Pd': 2.0}",78.98251295612837,[],NM,False,225,0,"[0, 0, 0, 0]",2.015636044505563e-06,0.0001592,0,0.0001592,MP,data/source/MP/cleaned/cifs/MP-mp-5538.cif,True,,data/final/MP/graphs/Pd2Sn1Tm0.25Y0.75-MP-mp-5538-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ba2Cu1Hg1O4.045,2,0.0055935363579863,0.9889687886279356,True,Ba1.978Cu0.989Hg0.989O4,Ba2Cu1Hg1O4,73.0,Cuprate,True,Ba24.86Cu12.43Hg12.43O50.279676817899315,Ba-Cu-Hg-O,4,Supercon,Hg1Ba2Cu1O4.045,MP-mp-6562,Ba2Cu1Hg1O4,Ba-Cu-Hg-O,Ba25Cu12.5Hg12.5O50,P 4/m m m,tetragonal,3.933714,3.933714,9.827602,data/final/MP/cifs/Ba2Cu1Hg1O4.045-MP-mp-6562-synth_doped.cif,data/source/MP/raw/cifs/mp-6562.cif,mp-6562,0.0,,2011-05-13 18:18:06,6.582036471328142,10.17188/1281336,"@misc{osti_1281336,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2CuHgO4 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281336"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697135'}},0.0234340381250053,2.58068675,520.0,-40.91481298,-5.1143516225,"{'tags': ['Mercury dibarium copper oxide', 'High pressure experimental phase']}",-40.91481298,-5.1143516225,-1.953767533125,"['xas', 'bandstructure']",True,"[75722, 75720, 75724, 75721, 75723]",True,2021-05-12 10:57:32.679000,NM,8,8,mp-6562,oxide,Ba2CuHgO4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Cu_pv', 'Hg', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",GGA,mp-6562,"['mp-6562', 'mp-990899', 'mp-992892', 'mp-1435690', 'mp-1697135', 'mp-1878488', 'mp-994198', 'mp-1592659']",0.0003984,"{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",152.07335344042525,[],NM,False,123,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.619788352047311e-06,0.0003984,0,0.0003984,MP,data/source/MP/cleaned/cifs/MP-mp-6562.cif,True,,data/final/MP/graphs/Ba2Cu1Hg1O4.045-MP-mp-6562-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ga1Nb1Ni2,1,0.0,1.0,True,Ga1Nb1Ni2,Ga1Nb1Ni2,1.54,Other,True,Ga25Nb25Ni50,Ga-Nb-Ni,3,Supercon,Ni2Nb1Ga1,MP-mp-3539,Nb1Ga1Ni2,Ga-Nb-Ni,Ga25Nb25Ni50,F m -3 m,cubic,4.23622157,4.23622157,4.23622157,data/final/MP/cifs/Ga1Nb1Ni2-MP-mp-3539.cif,data/source/MP/raw/cifs/mp-3539.cif,mp-3539,0.0,,2011-05-13 06:27:57,8.64990264907728,10.17188/1206989,"@misc{osti_1206989,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NbGaNi2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1206989"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1670470'}},0.0119209402920557,6.67032754,520.0,-26.02435502,-6.506088755,{'tags': ['Gallium niobium nickel (1/1/2)']},-26.02435502,-6.506088755,-0.3336701493750009,"['xas', 'elasticity', 'bandstructure']",True,"[634779, 103839]",True,2021-05-12 10:56:20.740000,NM,4,8,mp-3539,,NbGaNi2,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Ga_d', 'Ni_pv'], 'pot_type': 'paw'}","{'Nb': 1.0, 'Ga': 1.0, 'Ni': 2.0}",GGA,mp-3539,"['mp-912433', 'mp-929283', 'mp-928920', 'mp-3539', 'mp-1438644', 'mp-1670470', 'mp-1792304', 'mp-1591890']",0.0002159,"{'Nb': 1.0, 'Ga': 1.0, 'Ni': 2.0}",53.75526465834832,[],NM,False,225,0,"[0, 0, 0, 0]",4.016350796004688e-06,0.0002159,0,0.0002159,MP,data/source/MP/cleaned/cifs/MP-mp-3539.cif,False,,data/final/MP/graphs/Ga1Nb1Ni2-MP-mp-3539.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
C1Mo0.6Ta0.4,3,0.0999999999999999,2.0,False,C2Mo1.2Ta0.8,C2Mo1Ta1,9.18,Other,True,C50Mo30Ta20,C-Mo-Ta,3,Supercon,Ta0.4Mo0.6C1,MP-mp-1217919,Ta1Mo1C2,C-Mo-Ta,C50Mo25Ta25,R -3 m,trigonal,3.144835892169353,3.144835892169353,5.38817367,data/final/MP/cifs/C1Mo0.6Ta0.4-MP-mp-1217919-synth_doped.cif,data/source/MP/raw/cifs/mp-1217919.cif,mp-1217919,0.0,,2019-01-12 19:10:31.332000,11.499783499146304,,,{'GGA': {'task_id': 'mp-1766664'}},0.1494032275000005,9.116434,520.0,-41.88168601,-10.4704215025,{'tags': []},-41.88168601,-10.4704215025,-0.1811759874999996,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,4,5,mp-1217919,,TaMoC2,"{'functional': 'PBE', 'labels': ['Ta_pv', 'Mo_pv', 'C'], 'pot_type': 'paw'}","{'Ta': 1.0, 'Mo': 1.0, 'C': 2.0}",GGA,mp-1217919,"['mp-1217919', 'mp-1430516', 'mp-1766664', 'mp-1794431', 'mp-1610780']",0.0004872,"{'Ta': 1.0, 'Mo': 1.0, 'C': 2.0}",43.45052365373413,[],NM,False,166,0,"[0, 0, 0, 0]",1.1212753242805398e-05,0.0004872,0,0.0004872,MP,data/source/MP/cleaned/cifs/MP-mp-1217919.cif,True,,data/final/MP/graphs/C1Mo0.6Ta0.4-MP-mp-1217919-synth_doped.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Be17Ru3,1,0.0,4.0,False,Be68Ru12,Be68Ru12,0.0,Other,True,Be85Ru15,Be-Ru,2,Supercon,Be17Ru3,MP-mp-30443,Be68Ru12,Be-Ru,Be85Ru15,I m -3,cubic,9.80586882217381,9.80586882,9.80586882,data/final/MP/cifs/Be17Ru3-MP-mp-30443.cif,data/source/MP/raw/cifs/mp-30443.cif,mp-30443,0.0,,2014-02-15 07:58:34,4.176713100080338,10.17188/1204851,"@misc{osti_1204851,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Be17Ru3 (SG:204) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204851"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686208'}},0.0,4.60986125,520.0,-387.80852169,-4.847606521125,{'tags': ['Beryllium ruthenium (17/3)']},-387.80852169,-4.847606521125,-0.2779471376250001,"['xas', 'elasticity', 'bandstructure']",True,[58735],True,2021-05-12 10:56:18.721000,NM,80,7,mp-30443,,Be17Ru3,"{'functional': 'PBE', 'labels': ['Be_sv', 'Ru_pv'], 'pot_type': 'paw'}","{'Be': 17.0, 'Ru': 3.0}",GGA,mp-30443,"['mp-932071', 'mp-941095', 'mp-941407', 'mp-30443', 'mp-1353586', 'mp-1686208', 'mp-1884188']",0.0075049,"{'Be': 68.0, 'Ru': 12.0}",725.832392209526,[],NM,False,204,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",4.135885959651997e-05,0.0075049,0,0.0300196,MP,data/source/MP/cleaned/cifs/MP-mp-30443.cif,False,,data/final/MP/graphs/Be17Ru3-MP-mp-30443.json,0,True,m-3,2,0,0,0,0,0,0,0,0,1,0,1.0,False
Al1Nb0.1Pd2Zr0.9,2,0.0499999999999999,1.0,True,Al1Nb0.1Pd2Zr0.9,Al1Pd2Zr1,2.1,Other,True,Al25Nb2.5Pd50Zr22.5,Al-Nb-Pd-Zr,4,Supercon,Pd2Zr0.9Nb0.1Al1,MP-mp-541047,Zr1Al1Pd2,Al-Pd-Zr,Al25Pd50Zr25,F m -3 m,cubic,4.57033518,4.570335179999999,4.57033518,data/final/MP/cifs/Al1Nb0.1Pd2Zr0.9-MP-mp-541047-synth_doped.cif,data/source/MP/raw/cifs/mp-541047.cif,mp-541047,0.0,,2014-03-04 22:37:49,8.143435841764896,10.17188/1264928,"@misc{osti_1264928,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrAlPd2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1264928"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700196'}},0.0,6.07479302,520.0,-25.86549847,-6.4663746175,{'tags': ['Aluminium palladium zirconium (1/2/1)']},-25.86549847,-6.4663746175,-0.8031145974999996,"['xas', 'elasticity', 'bandstructure']",True,[58122],True,2021-05-12 10:56:22.739000,NM,4,9,mp-541047,,ZrAlPd2,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Al', 'Pd'], 'pot_type': 'paw'}","{'Zr': 1.0, 'Al': 1.0, 'Pd': 2.0}",GGA,mp-541047,"['mp-993682', 'mp-541047', 'mp-991962', 'mp-1256586', 'mp-1413021', 'mp-1700196', 'mp-1781993', 'mp-994976', 'mp-1592388']",0.0003981,"{'Zr': 1.0, 'Al': 1.0, 'Pd': 2.0}",67.5039455520289,[],NM,False,225,0,"[0, 0, 0, 0]",5.897433057348671e-06,0.0003981,0,0.0003981,MP,data/source/MP/cleaned/cifs/MP-mp-541047.cif,True,,data/final/MP/graphs/Al1Nb0.1Pd2Zr0.9-MP-mp-541047-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Al0.998Mn0.002,3,0.1498461538461538,13.0,False,Al12.974Mn0.026,Al12Mn1,0.262,Other,True,Al99.8Mn0.2,Al-Mn,2,Supercon,Al0.998Mn0.002,MP-mp-1104165,Mn1Al12,Al-Mn,Al92.308Mn7.692,I m -3,cubic,6.495928381440046,6.49592838,6.49592838,data/final/MP/cifs/Al0.998Mn0.002-MP-mp-1104165-synth_doped.cif,data/source/MP/raw/cifs/mp-1104165.cif,mp-1104165,0.0,,2018-07-18 21:24:18,2.980310687329249,,,{'GGA': {'task_id': 'mp-1695282'}},0.0,7.62451483,520.0,-55.39378986,-4.2610607584615385,"{'tags': ['WAl12', 'Manganese alumininium (1/12)', 'MnAl12']}",-55.39378986,-4.2610607584615385,-0.098835739071618,['bandstructure'],True,[608472],True,2021-05-12 10:58:20.361000,NM,13,5,mp-1104165,,MnAl12,"{'functional': 'PBE', 'labels': ['Mn_pv', 'Al'], 'pot_type': 'paw'}","{'Mn': 1.0, 'Al': 12.0}",GGA,mp-1104165,"['mp-1104165', 'mp-1417420', 'mp-1695282', 'mp-1830423', 'mp-1599700']",0.0008771,"{'Mn': 1.0, 'Al': 12.0}",211.00939566672923,[],NM,False,204,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",4.1566869438615055e-06,0.0008771,0,0.0008771,MP,data/source/MP/cleaned/cifs/MP-mp-1104165.cif,True,,data/final/MP/graphs/Al0.998Mn0.002-MP-mp-1104165-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,0,0,1,0,1.0,False
Cu1Sr2O3.1,2,0.0163934426229508,0.9677473118279568,True,Cu0.968Sr1.935O3,Cu1Sr2O3,70.0,Cuprate,True,Cu16.393Sr32.787O50.81967213114755,Cu-Sr-O,3,Supercon,Sr2Cu1O3.1,MP-mp-5456,Sr2Cu1O3,Cu-Sr-O,Cu16.667Sr33.333O50,I m m m,orthorhombic,3.5486719996916936,3.973221999464672,6.882681430000001,data/final/MP/cifs/Cu1Sr2O3.1-MP-mp-5456-synth_doped.cif,data/source/MP/raw/cifs/mp-5456.cif,mp-5456,0.0,,2011-05-13 06:08:08,5.321943242365502,10.17188/1267081,"@misc{osti_1267081,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr2CuO3 (SG:71) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1267081"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668116'}},0.0,3.61711129,520.0,-34.88196178,-5.813660296666666,"{'tags': ['Distrontium cuprate', 'Distrontium copper oxide', 'Distrontium cuprate(II)', 'High pressure experimental phase']}",-34.88196178,-5.813660296666666,-2.4368141980555555,"['xas', 'elasticity', 'bandstructure']",True,"[151807, 151808, 151812, 151809, 151810, 202993, 246686, 15127, 151811]",True,2021-05-12 10:56:22.739000,NM,6,9,mp-5456,oxide,Sr2CuO3,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Cu': 1.0, 'O': 3.0}",GGA,mp-5456,"['mp-990251', 'mp-990223', 'mp-5456', 'mp-1142034', 'mp-1440170', 'mp-1668116', 'mp-1782763', 'mp-990260', 'mp-1588501']",0.0018128,"{'Sr': 2.0, 'Cu': 1.0, 'O': 3.0}",89.48166977668829,[],NM,False,71,0,"[0, 0, 0, 0, 0, 0]",2.0258897766705173e-05,0.0018128,0,0.0018128,MP,data/source/MP/cleaned/cifs/MP-mp-5456.cif,True,,data/final/MP/graphs/Cu1Sr2O3.1-MP-mp-5456-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,1.0,False
Os2P2Sr1,1,0.0,1.0,True,Os2P2Sr1,Os2P2Sr1,0.0,Other,True,Os40P40Sr20,Os-P-Sr,3,Supercon,Sr1Os2P2,MP-mp-569310,Sr1P2Os2,Os-P-Sr,Os40P40Sr20,I 4/m m m,tetragonal,4.083475999328498,4.083475999328498,6.36443153,data/final/MP/cifs/Os2P2Sr1-MP-mp-569310.cif,data/source/MP/raw/cifs/mp-569310.cif,mp-569310,0.0,,2015-02-14 21:40:40,9.306179415940814,10.17188/1275031,"@misc{osti_1275031,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(POs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1275031"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698151'}},0.0,6.49289056,520.0,-38.18940495,-7.637880989999999,{'tags': ['Osmium strontium phosphide (2/1/2)']},-38.18940495,-7.637880989999999,-0.643714794666667,"['xas', 'elasticity', 'bandstructure']",True,[602096],True,2021-05-12 10:56:22.739000,NM,5,8,mp-569310,,Sr(POs)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'P', 'Os_pv'], 'pot_type': 'paw'}","{'Sr': 1.0, 'P': 2.0, 'Os': 2.0}",GGA,mp-569310,"['mp-933359', 'mp-944292', 'mp-943636', 'mp-569310', 'mp-1434672', 'mp-1698151', 'mp-1796901', 'mp-1592348']",0.0035198,"{'Sr': 1.0, 'P': 2.0, 'Os': 2.0}",94.57494538173928,[],NM,False,139,0,"[0, 0, 0, 0, 0]",3.72170450196169e-05,0.0035198,0,0.0035198,MP,data/source/MP/cleaned/cifs/MP-mp-569310.cif,False,,data/final/MP/graphs/Os2P2Sr1-MP-mp-569310.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Mn1P1,1,0.0,4.0,False,Mn4P4,Mn4P4,0.0,Other,True,Mn50P50,Mn-P,2,Supercon,Mn1P1,MP-mp-2662,Mn4P4,Mn-P,Mn50P50,P n m a,orthorhombic,3.153941,5.19101,5.849532,data/final/MP/cifs/Mn1P1-MP-mp-2662.cif,data/source/MP/raw/cifs/mp-2662.cif,mp-2662,0.0,,2011-05-13 16:42:02,5.958478698093046,10.17188/1201204,"@misc{osti_1201204,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MnP (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201204"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1670515'}},0.0,8.82554782,520.0,-63.23190011,-7.90398751375,"{'tags': ['Manganese phosphide', 'Manganese phosphide (1/1)', 'Manganese(III) phosphide']}",-63.23190011,-7.90398751375,-0.6163286143821836,"['xas', 'elasticity', 'bandstructure']",True,"[43246, 60880, 76091, 30412, 76090, 643213, 76089, 643220, 43399, 643217, 61136, 643200]",True,2021-05-12 10:56:18.721000,FM,8,8,mp-2662,,MnP,"{'functional': 'PBE', 'labels': ['Mn_pv', 'P'], 'pot_type': 'paw'}","{'Mn': 1.0, 'P': 1.0}",GGA,mp-2662,"['mp-920685', 'mp-907193', 'mp-921681', 'mp-2662', 'mp-1442234', 'mp-1670515', 'mp-1796105', 'mp-1594104']",1.3632389,"{'Mn': 4.0, 'P': 4.0}",95.76935257071996,[],FM,True,62,1,"[1.5, 1.5, 1.5, 1.5, 0.0, 0.0, 0.0, 0.0]",0.056938419793256,1.3632389,4,5.4529556,MP,data/source/MP/cleaned/cifs/MP-mp-2662.cif,False,,data/final/MP/graphs/Mn1P1-MP-mp-2662.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Al1Ge1Na1,1,0.0,2.0,False,Al2Ge2Na2,Al2Ge2Na2,0.0,Other,True,Al33.333Ge33.333Na33.333,Al-Ge-Na,3,Supercon,Na1Al1Ge1,MP-mp-7400,Na2Al2Ge2,Al-Ge-Na,Al33.333Ge33.333Na33.333,P 4/n m m,tetragonal,4.168391,4.168391,7.469829,data/final/MP/cifs/Al1Ge1Na1-MP-mp-7400.cif,data/source/MP/raw/cifs/mp-7400.cif,mp-7400,0.0,,2011-05-28 03:03:39,3.1373434127565325,10.17188/1287922,"@misc{osti_1287922,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NaAlGe (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1287922"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1695750'}},0.0,3.70532702,520.0,-20.51844131,-3.419740218333333,{'tags': ['Sodium aluminium germanium']},-20.51844131,-3.419740218333333,-0.1893638921839079,"['bandstructure', 'elasticity']",True,[10147],True,2021-05-12 10:56:29.056000,NM,6,9,mp-7400,,NaAlGe,"{'functional': 'PBE', 'labels': ['Na_pv', 'Al', 'Ge_d'], 'pot_type': 'paw'}","{'Na': 1.0, 'Al': 1.0, 'Ge': 1.0}",GGA,mp-7400,"['mp-922482', 'mp-923263', 'mp-907997', 'mp-7400', 'mp-1264025', 'mp-1425601', 'mp-1695750', 'mp-1784943', 'mp-1589620']",2.5e-06,"{'Na': 2.0, 'Al': 2.0, 'Ge': 2.0}",129.79189075305763,[],NM,False,129,0,"[0, 0, 0, 0, 0, 0]",3.8523207967692006e-08,2.5e-06,0,5e-06,MP,data/source/MP/cleaned/cifs/MP-mp-7400.cif,False,,data/final/MP/graphs/Al1Ge1Na1-MP-mp-7400.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ge3Nd2Pd1,1,0.0,1.0,True,Ge3Nd2Pd1,Ge3Nd2Pd1,0.0,Other,True,Ge50Nd33.333Pd16.667,Ge-Nd-Pd,3,Supercon,Nd2Pd1Ge3,MP-mp-1220340,Nd2Ge3Pd1,Ge-Nd-Pd,Ge50Nd33.333Pd16.667,P m m 2,orthorhombic,4.195079,4.348099,7.381423,data/final/MP/cifs/Ge3Nd2Pd1-MP-mp-1220340.cif,data/source/MP/raw/cifs/mp-1220340.cif,mp-1220340,0.0,,2019-01-12 21:12:10.745000,7.557970656603963,,,{'GGA': {'task_id': 'mp-1758228'}},0.0,5.24235519,520.0,-33.49127025,-5.581878375,{'tags': []},-33.49127025,-5.581878375,-0.8176697424999997,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,6,5,mp-1220340,,Nd2Ge3Pd,"{'functional': 'PBE', 'labels': ['Nd_3', 'Ge_d', 'Pd'], 'pot_type': 'paw'}","{'Nd': 2.0, 'Ge': 3.0, 'Pd': 1.0}",GGA,mp-1220340,"['mp-1220340', 'mp-1390641', 'mp-1758228', 'mp-1786731', 'mp-1626000']",3.92e-05,"{'Nd': 2.0, 'Ge': 3.0, 'Pd': 1.0}",134.64172318013823,[],NM,False,25,0,"[0, 0, 0, 0, 0, 0]",2.9114303556226777e-07,3.92e-05,0,3.92e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1220340.cif,False,,data/final/MP/graphs/Ge3Nd2Pd1-MP-mp-1220340.json,0,True,mm2,0,0,0,6,0,0,0,1,0,0,0,1.0,False
Nb3Si0.27Sn0.73,3,0.135,2.0,False,Nb6Si0.54Sn1.46,Nb6Sn2,13.9,Other,True,Nb75Si6.75Sn18.25,Nb-Si-Sn,3,Supercon,Nb3Si0.27Sn0.73,MP-mp-1326,Nb6Sn2,Nb-Sn,Nb75Sn25,P m -3 n,cubic,5.334611,5.334611,5.334611,data/final/MP/cifs/Nb3Si0.27Sn0.73-MP-mp-1326-synth_doped.cif,data/source/MP/raw/cifs/mp-1326.cif,mp-1326,0.0,,2011-05-14 09:51:48,8.694218121896231,10.17188/1189484,"@misc{osti_1189484,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Sn (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189484"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668415'}},0.0,6.59372491,520.0,-69.93787048,-8.74223381,{'tags': ['Niobium tin (3/1)']},-69.93787048,-8.74223381,-0.163862066250001,"['xas', 'elasticity', 'bandstructure']",True,"[105230, 645503, 645489, 105231, 645498, 645485, 645474, 645496, 645480, 645488, 645482, 645487, 645500, 645493, 645477, 645484, 645502, 645483, 150878, 645479, 645481, 645486, 645473]",True,2021-05-12 10:56:12.755000,NM,8,9,mp-1326,,Nb3Sn,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Sn_d'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Sn': 1.0}",GGA,mp-1326,"['mp-930046', 'mp-913770', 'mp-930577', 'mp-1326', 'mp-1440651', 'mp-1668415', 'mp-1880085', 'mp-1594093', 'mp-1594507']",0.62023085,"{'Nb': 6.0, 'Sn': 2.0}",151.81275738025872,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0081709977567491,0.62023085,0,1.2404617,MP,data/source/MP/cleaned/cifs/MP-mp-1326.cif,True,,data/final/MP/graphs/Nb3Si0.27Sn0.73-MP-mp-1326-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cu1La2O4.1,2,0.0120724346076458,0.9757032520325204,True,Cu0.976La1.951O4,Cu1La2O4,0.0,Cuprate,True,Cu14.085La28.169O57.74647887323943,Cu-La-O,3,Supercon,La2Cu1O4.1,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La2O4.1-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La2O4.1-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ir1V3,1,0.0,2.0,False,Ir2V6,Ir2V6,0.0,Other,True,Ir25V75,Ir-V,2,Supercon,Ir1V3,MP-mp-2006,V6Ir2,Ir-V,Ir25V75,P m -3 n,cubic,4.78695,4.78695,4.78695,data/final/MP/cifs/Ir1V3-MP-mp-2006.cif,data/source/MP/raw/cifs/mp-2006.cif,mp-2006,0.0,,2011-05-14 00:59:41,10.446570811815182,10.17188/1195220,"@misc{osti_1195220,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ir (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195220"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672070'}},0.0,7.17803428,520.0,-76.169303,-9.521162875,{'tags': ['Iridium vanadium (1/3)']},-76.169303,-9.521162875,-0.4986257174999995,"['xas', 'elasticity', 'bandstructure']",True,"[104592, 641163, 641151]",True,2021-05-12 10:56:14.760000,NM,8,8,mp-2006,,V3Ir,"{'functional': 'PBE', 'labels': ['V_pv', 'Ir'], 'pot_type': 'paw'}","{'V': 3.0, 'Ir': 1.0}",GGA,mp-2006,"['mp-941889', 'mp-941747', 'mp-935070', 'mp-2006', 'mp-1301101', 'mp-1672070', 'mp-1803749', 'mp-1593926']",0.0001214,"{'V': 6.0, 'Ir': 2.0}",109.69243413355238,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.2134616841886008e-06,0.0001214,0,0.0002428,MP,data/source/MP/cleaned/cifs/MP-mp-2006.cif,False,,data/final/MP/graphs/Ir1V3-MP-mp-2006.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ge2Pd1.86Pt0.14Sr1,3,0.0559999999999999,1.0,True,Ge2Pd1.86Pt0.14Sr1,Ge2Pd2Sr1,2.6,Other,True,Ge40Pd37.2Pt2.8Sr20,Ge-Pd-Pt-Sr,4,Supercon,Sr1Pd1.86Pt0.14Ge2,MP-mp-978986,Sr1Ge2Pd2,Ge-Pd-Sr,Ge40Pd40Sr20,I 4/m m m,tetragonal,4.438671999438209,4.438671999438209,6.03054834,data/final/MP/cifs/Ge2Pd1.86Pt0.14Sr1-MP-mp-978986-synth_doped.cif,data/source/MP/raw/cifs/mp-978986.cif,mp-978986,0.0,,2015-10-09 03:56:43,7.295677176868866,10.17188/1316057,"@misc{osti_1316057,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(GePd)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1316057"",
    place = ""United States"",
    year = ""2016"",
    month = ""9"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688092'}},0.0,4.0155429,520.0,-24.8627221,-4.97254442,"{'tags': ['Strontium palladium germanide (1/2/2)', 'Strontium palladium germanium (1/2/2)', 'High pressure experimental phase']}",-24.8627221,-4.97254442,-0.7134818633333324,"['xas', 'elasticity', 'bandstructure']",True,"[165985, 181157, 181155, 181156, 168133]",True,2021-05-12 10:56:37.246000,NM,5,9,mp-978986,,Sr(GePd)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ge_d', 'Pd'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Ge': 2.0, 'Pd': 2.0}",GGA,mp-978986,"['mp-1005776', 'mp-978986', 'mp-1005866', 'mp-979737', 'mp-1438850', 'mp-1688092', 'mp-1782349', 'mp-1011093', 'mp-1589601']",0.0012593,"{'Sr': 1.0, 'Ge': 2.0, 'Pd': 2.0}",101.45304755163892,[],NM,False,139,0,"[0, 0, 0, 0, 0]",1.2412638460752248e-05,0.0012593,0,0.0012593,MP,data/source/MP/cleaned/cifs/MP-mp-978986.cif,True,,data/final/MP/graphs/Ge2Pd1.86Pt0.14Sr1-MP-mp-978986-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ca0.3Ti1Y0.7O3,3,0.0799999999999999,4.0,False,Ca1.2Ti4Y2.8O12,Ca2Ti4Y2O12,0.0,Oxide,True,Ca6Ti20Y14O60,Ca-Ti-Y-O,4,Supercon,Y0.7Ca0.3Ti1O3,MP-mp-1227099,Ca2Y2Ti4O12,Ca-Ti-Y-O,Ca10Ti20Y10O60,P m n 21,orthorhombic,5.3731,5.586636,7.717394,data/final/MP/cifs/Ca0.3Ti1Y0.7O3-MP-mp-1227099-synth_doped.cif,data/source/MP/raw/cifs/mp-1227099.cif,mp-1227099,0.0,,2019-01-13 02:58:43.978000,4.597813784801767,,,{'GGA': {'task_id': 'mp-1684282'}},0.0104752975833317,6.3906558,520.0,-171.84460141,-8.5922300705,{'tags': []},-171.84460141,-8.5922300705,-3.6093479648333338,[],False,[],True,2021-05-12 11:00:56.634000,FM,20,4,mp-1227099,oxide,CaYTi2O6,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Y_sv', 'Ti_pv', 'O'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Y': 1.0, 'Ti': 2.0, 'O': 6.0}",GGA,mp-1227099,"['mp-1227099', 'mp-1374586', 'mp-1684282', 'mp-1932727']",0.986922,"{'Ca': 2.0, 'Y': 2.0, 'Ti': 4.0, 'O': 12.0}",231.6572902977105,[],FM,True,31,1,"[0.0, 0.0, 0.0, 0.0, 0.5, 0.5, 0.5, 0.5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0085205347842208,0.986922,4,1.973844,MP,data/source/MP/cleaned/cifs/MP-mp-1227099.cif,True,,data/final/MP/graphs/Ca0.3Ti1Y0.7O3-MP-mp-1227099-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,1,0,0,0,1.0,False
Pb1V3,1,0.0,2.0,False,Pb2V6,Pb2V6,0.0,Other,True,Pb25V75,Pb-V,2,Supercon,Pb1V3,MP-mp-30830,V6Pb2,Pb-V,Pb25V75,P m -3 n,cubic,5.027517,5.027517,5.027517,data/final/MP/cifs/Pb1V3-MP-mp-30830.cif,data/source/MP/raw/cifs/mp-30830.cif,mp-30830,0.0,,2014-02-24 02:29:21,9.409152460996776,10.17188/1205189,"@misc{osti_1205189,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Pb (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1205189"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696759'}},0.2478136224999998,7.55574122,520.0,-59.94622158,-7.4932776975,{'tags': ['Lead vanadium (1/3)']},-59.94622158,-7.4932776975,0.2478136224999998,"['xas', 'bandstructure']",True,[105639],True,2021-05-12 10:57:04.957000,NM,8,8,mp-30830,,V3Pb,"{'functional': 'PBE', 'labels': ['V_pv', 'Pb_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Pb': 1.0}",GGA,mp-30830,"['mp-929091', 'mp-30830', 'mp-929473', 'mp-912754', 'mp-1413745', 'mp-1696759', 'mp-1876761', 'mp-1591877']",0.0041622,"{'V': 6.0, 'Pb': 2.0}",127.07515361480256,[],NM,False,223,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",6.550769181230656e-05,0.0041622,0,0.0083244,MP,data/source/MP/cleaned/cifs/MP-mp-30830.cif,False,,data/final/MP/graphs/Pb1V3-MP-mp-30830.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B2C1Fe0.14Ni1.86Y1,2,0.0466666666666666,1.0,True,B2C1Fe0.14Ni1.86Y1,B2C1Ni2Y1,6.2,Other,True,B33.333C16.667Fe2.333Ni31Y16.667,B-C-Fe-Ni-Y,5,Supercon,Y1Ni1.86Fe0.14B2C1,MP-mp-6576,Y1Ni2B2C1,B-C-Ni-Y,B33.333C16.667Ni33.333Y16.667,I 4/m m m,tetragonal,3.548790000501972,3.548790000501972,5.76144136,data/final/MP/cifs/B2C1Fe0.14Ni1.86Y1-MP-mp-6576-synth_doped.cif,data/source/MP/raw/cifs/mp-6576.cif,mp-6576,0.0,,2011-05-13 05:21:43,6.099730998852292,10.17188/1281366,"@misc{osti_1281366,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281366"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688230'}},0.0,6.81083016,520.0,-43.677878,-7.279646333333333,{'tags': []},-43.677878,-7.279646333333333,-0.5109282141666659,"['xas', 'bandstructure']",True,"[75816, 89142, 83231, 79574, 41549]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6576,,YNi2B2C,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6576,"['mp-6576', 'mp-1007054', 'mp-1000583', 'mp-1439516', 'mp-1688230', 'mp-1794280', 'mp-1011792', 'mp-1597064']",0.0006603,"{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",65.3152437079014,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",1.010943177297096e-05,0.0006603,0,0.0006603,MP,data/source/MP/cleaned/cifs/MP-mp-6576.cif,True,,data/final/MP/graphs/B2C1Fe0.14Ni1.86Y1-MP-mp-6576-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ga2Sr1,1,0.0,1.0,True,Ga2Sr1,Ga2Sr1,0.0,Other,True,Ga66.667Sr33.333,Ga-Sr,2,Supercon,Ga2Sr1,MP-mp-182,Sr1Ga2,Ga-Sr,Ga66.667Sr33.333,P 6/m m m,hexagonal,4.356883994928654,4.3568838,4.824023,data/final/MP/cifs/Ga2Sr1-MP-mp-182.cif,data/source/MP/raw/cifs/mp-182.cif,mp-182,0.0,,2011-05-12 21:32:11,4.754548008729985,10.17188/1192969,"@misc{osti_1192969,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SrGa2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1192969"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672867'}},0.0,2.40936575,520.0,-9.24607358,-3.0820245266666664,"{'tags': ['Strontium gallide (1/2)', 'Strontium digallium', 'Strontium gallium (1/2)', 'Gallium strontium (2/1)']}",-9.24607358,-3.0820245266666664,-0.5001293605555551,"['xas', 'elasticity', 'bandstructure']",True,"[635458, 103972, 190870, 417224, 260654, 246236, 150473]",True,2021-05-12 10:56:14.760000,NM,3,13,mp-182,,SrGa2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ga_d'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Ga': 2.0}",GGA,mp-182,"['mp-919532', 'mp-918535', 'mp-905331', 'mp-182', 'mp-1062502', 'mp-1062523', 'mp-1062582', 'mp-1218271', 'mp-1442203', 'mp-1672867', 'mp-1800329', 'mp-1595973', 'mp-1062553']",0.0001121,"{'Sr': 1.0, 'Ga': 2.0}",79.30342968548804,[],NM,False,191,0,"[0, 0, 0]",1.4135580320369613e-06,0.0001121,0,0.0001121,MP,data/source/MP/cleaned/cifs/MP-mp-182.cif,False,,data/final/MP/graphs/Ga2Sr1-MP-mp-182.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ce0.99La0.01Pt3Si1,2,0.004,1.0,True,Ce0.99La0.01Pt3Si1,Ce1Pt3Si1,0.57,Heavy_fermion,True,Ce19.8La0.2Pt60Si20,Ce-La-Pt-Si,4,Supercon,Ce0.99La0.01Pt3Si1,MP-mp-1207119,Ce1Si1Pt3,Ce-Pt-Si,Ce20Pt60Si20,P 4 m m,tetragonal,4.067884,4.067884,5.552623,data/final/MP/cifs/Ce0.99La0.01Pt3Si1-MP-mp-1207119-synth_doped.cif,data/source/MP/raw/cifs/mp-1207119.cif,mp-1207119,0.0,,2019-01-12 10:17:34.047000,13.616649050512317,,,,0.0,7.99187805,520.0,-34.84666915,-6.969333829999999,"{'tags': ['CePt3Si', 'CePt3B']}",-34.84666915,-6.969333829999999,-1.0409085689999995,[],False,[],True,2021-05-12 11:00:19.396000,NM,5,2,mp-1207119,,CeSiPt3,"{'functional': 'PBE', 'labels': ['Ce', 'Si', 'Pt'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Si': 1.0, 'Pt': 3.0}",GGA,mp-1207119,"['mp-1207119', 'mp-1923489']",0.0099182,"{'Ce': 1.0, 'Si': 1.0, 'Pt': 3.0}",91.88302988314366,[],NM,False,99,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",0.0001079437629844,0.0099182,0,0.0099182,MP,data/source/MP/cleaned/cifs/MP-mp-1207119.cif,True,,data/final/MP/graphs/Ce0.99La0.01Pt3Si1-MP-mp-1207119-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,1,0,0,0,1.0,False
In1Sc3,1,0.0,2.0,False,In2Sc6,In2Sc6,0.0,Other,True,In25Sc75,In-Sc,2,Supercon,In1Sc3,MP-mp-19713,Sc6In2,In-Sc,In25Sc75,P 63/m m c,hexagonal,5.226484,6.4213579997053785,6.421357,data/final/MP/cifs/In1Sc3-MP-mp-19713.cif,data/source/MP/raw/cifs/mp-19713.cif,mp-19713,0.0,,2014-02-22 08:03:39,4.443026390929162,10.17188/1194923,"@misc{osti_1194923,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sc3In (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1194923"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698690'}},0.0,5.23123875,520.0,-45.86165953,-5.73270744125,"{'tags': ['Scandium indide (3/1)', 'Scandium Indium (3/1)']}",-45.86165953,-5.73270744125,-0.2954346799999996,"['xas', 'elasticity', 'bandstructure']",True,"[15908, 640465]",True,2021-05-12 10:56:14.760000,FM,8,9,mp-19713,,Sc3In,"{'functional': 'PBE', 'labels': ['Sc_sv', 'In_d'], 'pot_type': 'paw'}","{'Sc': 3.0, 'In': 1.0}",GGA,mp-19713,"['mp-924543', 'mp-908953', 'mp-923878', 'mp-19713', 'mp-1079087', 'mp-1416966', 'mp-1698690', 'mp-1883013', 'mp-1591808']",1.55879495,"{'Sc': 6.0, 'In': 2.0}",186.6353618097986,[],FM,True,63,1,"[0.4, 0.3, 0.4, 0.4, 0.3, 0.4, 0.0, 0.0]",0.0167041758312508,1.55879495,6,3.1175899,MP,data/source/MP/cleaned/cifs/MP-mp-19713.cif,False,,data/final/MP/graphs/In1Sc3-MP-mp-19713.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Cu2Gd1Ru0.925Sn0.075Sr2O8,2,0.0107142857142857,2.0,False,Cu4Gd2Ru1.85Sn0.15Sr4O16,Cu4Gd2Ru2Sr4O16,37.8,Cuprate,True,Cu14.286Gd7.143Ru6.607Sn0.536Sr14.286O57.142857142857146,Cu-Gd-Ru-Sn-Sr-O,6,Supercon,Ru0.925Sn0.075Sr2Gd1Cu2O8,MP-mp-1194240,Sr4Gd2Cu4Ru2O16,Cu-Gd-Ru-Sr-O,Cu14.286Gd7.143Ru7.143Sr14.286O57.142857142857146,P 4/m b m,tetragonal,5.472451,5.472451,11.740702,data/final/MP/cifs/Cu2Gd1Ru0.925Sn0.075Sr2O8-MP-mp-1194240-synth_doped.cif,data/source/MP/raw/cifs/mp-1194240.cif,mp-1194240,0.0,,2019-01-11 23:51:58.932000,6.504561898971391,,,{'GGA': {'task_id': 'mp-1765260'}},0.0213449239285443,3.93502801,520.0,-201.55352223,-7.198340079642857,"{'tags': ['Sr2Cu2GdRuO8 orth', 'Sr2Cu2GdRuO8', 'Ruthenium distrontium gadolinium dicopper octaoxide']}",-201.55352223,-7.198340079642857,-2.268654352380952,['bandstructure'],True,[245741],True,2021-05-12 10:58:35.561000,FiM,28,6,mp-1194240,oxide,Sr2GdCu2RuO8,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Gd', 'Cu_pv', 'Ru_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Gd': 1.0, 'Cu': 2.0, 'Ru': 1.0, 'O': 8.0}",GGA,mp-1194240,"['mp-1194240', 'mp-1396976', 'mp-1659973', 'mp-1765260', 'mp-1841948', 'mp-1638264']",4.23696715,"{'Sr': 4.0, 'Gd': 2.0, 'Cu': 4.0, 'Ru': 2.0, 'O': 16.0}",351.6072554818909,[],FiM,True,127,2,"[-0.0, -0.0, -0.0, -0.0, 6.9, 6.9, 0.0, 0.0, 0.0, 0.0, -1.8, -1.8, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]",0.0241005672319991,4.23696715,4,8.4739343,MP,data/source/MP/cleaned/cifs/MP-mp-1194240.cif,True,,data/final/MP/graphs/Cu2Gd1Ru0.925Sn0.075Sr2O8-MP-mp-1194240-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ba2Co1Cu2Y1O7.2,2,0.013986013986014,0.9720444444444444,True,Ba1.944Co0.972Cu1.944Y0.972O7,Ba2Co1Cu2Y1O7,0.0,Cuprate,True,Ba15.152Co7.576Cu15.152Y7.576O54.54545454545455,Ba-Co-Cu-Y-O,5,Supercon,Y1Ba2Cu2Co1O7.2,MP-mp-1214571,Ba2Y1Co1Cu2O7,Ba-Co-Cu-Y-O,Ba15.385Co7.692Cu15.385Y7.692O53.84615384615385,P m m m,orthorhombic,3.86629601,3.91930101,11.819924,data/final/MP/cifs/Ba2Co1Cu2Y1O7.2-MP-mp-1214571-synth_doped.cif,data/source/MP/raw/cifs/mp-1214571.cif,mp-1214571,0.0,,2019-01-12 16:23:33.184000,6.133574139151574,,,{'GGA+U': {'task_id': 'mp-1720354'}},0.0401337653108972,3.39484028,520.0,-82.69443448,-6.361110344615384,"{'tags': ['Ba2Cu3YO7', 'high-Tc cuprate family', 'Ba2Cu2.95YCo0.05O7']}",-82.69443448,-6.361110344615384,-2.222658733589744,[],False,[],True,2021-05-12 11:00:35.508000,FM,13,29,mp-1214571,oxide,Ba2YCoCu2O7,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Y_sv', 'Co', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Y': 1.0, 'Co': 1.0, 'Cu': 2.0, 'O': 7.0}",GGA+U,mp-1214571,"['mp-1214571', 'mp-1289285', 'mp-1293149', 'mp-1284703', 'mp-1316036', 'mp-1310862', 'mp-1314594', 'mp-1307897', 'mp-1310186', 'mp-1313917', 'mp-1307955', 'mp-1320648', 'mp-1306530', 'mp-1311782', 'mp-1303620', 'mp-1318538', 'mp-1309592', 'mp-1305900', 'mp-1305902', 'mp-1322322', 'mp-1304479', 'mp-1303747', 'mp-1304542', 'mp-1309099', 'mp-1316563', 'mp-1302424', 'mp-1310638', 'mp-1446471', 'mp-1720354']",2.4388165,"{'Ba': 2.0, 'Y': 1.0, 'Co': 1.0, 'Cu': 2.0, 'O': 7.0}",179.10940895363504,[],FM,True,47,1,"[0.0, 0.0, 0.0, 2.1, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0136163505549355,2.4388165,1,2.4388165,MP,data/source/MP/cleaned/cifs/MP-mp-1214571.cif,True,,data/final/MP/graphs/Ba2Co1Cu2Y1O7.2-MP-mp-1214571-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Al1Y3,1,0.0,1.0,True,Al1Y3,Al1Y3,0.0,Other,True,Al25Y75,Al-Y,2,Supercon,Al1Y3,MP-mp-30338,Y3Al1,Al-Y,Al25Y75,P m -3 m,cubic,4.783392,4.783392,4.783392,data/final/MP/cifs/Al1Y3-MP-mp-30338.cif,data/source/MP/raw/cifs/mp-30338.cif,mp-30338,0.0,,2014-02-19 17:20:42,4.455985590050589,10.17188/1204754,"@misc{osti_1204754,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Y3Al (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1204754"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700416'}},0.0509951402083341,3.91345026,520.0,-23.88511418,-5.971278545,{'tags': ['Aluminum yttrium (1/3)']},-23.88511418,-5.971278545,-0.1850312524999999,"['xas', 'elasticity', 'bandstructure']",True,[58212],True,2021-05-12 10:56:18.721000,NM,4,9,mp-30338,,Y3Al,"{'functional': 'PBE', 'labels': ['Y_sv', 'Al'], 'pot_type': 'paw'}","{'Y': 3.0, 'Al': 1.0}",GGA,mp-30338,"['mp-928649', 'mp-912025', 'mp-928135', 'mp-30338', 'mp-1253428', 'mp-1441951', 'mp-1700416', 'mp-1803809', 'mp-1587590']",0.0359595,"{'Y': 3.0, 'Al': 1.0}",109.448022348649,[],NM,False,221,0,"[0, 0, 0, 0]",0.0003285532184898,0.0359595,0,0.0359595,MP,data/source/MP/cleaned/cifs/MP-mp-30338.cif,False,,data/final/MP/graphs/Al1Y3-MP-mp-30338.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Nb3Os0.7Rh0.3,3,0.15,2.0,False,Nb6Os1.4Rh0.6,Nb6Os2,0.0,Other,True,Nb75Os17.5Rh7.5,Nb-Os-Rh,3,Supercon,Nb3Rh0.3Os0.7,MP-mp-1932,Nb6Os2,Nb-Os,Nb75Os25,P m -3 n,cubic,5.179602,5.179602,5.179602,data/final/MP/cifs/Nb3Os0.7Rh0.3-MP-mp-1932-synth_doped.cif,data/source/MP/raw/cifs/mp-1932.cif,mp-1932,0.0,,2011-05-14 10:15:59,11.20767857188024,10.17188/1194239,"@misc{osti_1194239,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Os (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1194239"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704639'}},0.0,5.61834429,520.0,-84.99595231,-10.62449403875,{'tags': ['Niobium osmium (3/1)']},-84.99595231,-10.62449403875,-0.2416736950000011,"['xas', 'elasticity', 'bandstructure']",True,"[603783, 645150, 105184]",True,2021-05-12 10:56:14.760000,NM,8,8,mp-1932,,Nb3Os,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Os_pv'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Os': 1.0}",GGA,mp-1932,"['mp-912682', 'mp-929065', 'mp-929435', 'mp-1932', 'mp-1427426', 'mp-1704639', 'mp-1789424', 'mp-1593834']",0.00027085,"{'Nb': 6.0, 'Os': 2.0}",138.95979657593512,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",3.898249805683804e-06,0.00027085,0,0.0005417,MP,data/source/MP/cleaned/cifs/MP-mp-1932.cif,True,,data/final/MP/graphs/Nb3Os0.7Rh0.3-MP-mp-1932-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
As1Fe0.9Nd1Rh0.1O1,2,0.0499999999999999,2.0,False,As2Fe1.8Nd2Rh0.2O2,As2Fe2Nd2O2,15.8,Ferrite,True,As25Fe22.5Nd25Rh2.5O25,As-Fe-Nd-Rh-O,5,Supercon,Nd1Fe0.9Rh0.1As1O1,MP-mp-622621,Nd2Fe2As2O2,As-Fe-Nd-O,As25Fe25Nd25O25,P 4/n m m,tetragonal,4.074653,4.074653,9.170967,data/final/MP/cifs/As1Fe0.9Nd1Rh0.1O1-MP-mp-622621-synth_doped.cif,data/source/MP/raw/cifs/mp-622621.cif,mp-622621,0.0,,2014-02-16 22:28:25,6.347279619112142,10.17188/1278150,"@misc{osti_1278150,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NdFeAsO (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278150"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1677677'}},0.2809314202083302,3.74777613,520.0,-52.70842543,-6.58855317875,{'tags': ['Neodymium iron arsenic oxide (1/1/1/1)']},-52.70842543,-6.58855317875,-1.61299541125,"['xas', 'bandstructure']",True,"[163547, 164679, 422001, 163546, 236651, 236650, 602466, 164680, 164676]",True,2021-05-12 10:57:28.836000,FM,8,8,mp-622621,oxide,NdFeAsO,"{'functional': 'PBE', 'labels': ['Nd_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Nd': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-622621,"['mp-622621', 'mp-1079381', 'mp-1173401', 'mp-1438697', 'mp-1677677', 'mp-1772072', 'mp-1926310', 'mp-1592869']",3.83954265,"{'Nd': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",152.26370404041757,[],FM,True,129,1,"[0.0, 0.0, 3.6, 3.6, -0.0, -0.0, -0.0, -0.0]",0.0504328024094411,3.83954265,2,7.6790853,MP,data/source/MP/cleaned/cifs/MP-mp-622621.cif,True,,data/final/MP/graphs/As1Fe0.9Nd1Rh0.1O1-MP-mp-622621-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ge1V3,1,0.0,2.0,False,Ge2V6,Ge2V6,6.68,Other,True,Ge25V75,Ge-V,2,Supercon,Ge1V3,MP-mp-1221,V6Ge2,Ge-V,Ge25V75,P m -3 n,cubic,4.766075,4.766075,4.766075,data/final/MP/cifs/Ge1V3-MP-mp-1221.cif,data/source/MP/raw/cifs/mp-1221.cif,mp-1221,0.0,,2011-05-14 09:51:59,6.9163131280226695,10.17188/1188652,"@misc{osti_1188652,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ge (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1188652"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668516'}},0.0,6.92904659,520.0,-66.42968935,-8.30371116875,"{'tags': ['Vanadium germanium (3/1)', 'Germanium vanadium (1/3)', 'Vanadium germanide (3/1)']}",-66.42968935,-8.30371116875,-0.3350246525000004,"['xas', 'elasticity', 'bandstructure']",True,"[638096, 186004, 638087, 20212, 603983, 638107, 56052, 638103, 638102, 638101, 638083, 638099, 638105, 638106, 638082, 638097, 638090]",True,2021-05-12 10:56:12.755000,FM,8,10,mp-1221,,V3Ge,"{'functional': 'PBE', 'labels': ['V_pv', 'Ge_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ge': 1.0}",GGA,mp-1221,"['mp-927353', 'mp-911391', 'mp-927792', 'mp-1221', 'mp-1078697', 'mp-1440633', 'mp-1668516', 'mp-1925837', 'mp-1587840', 'mp-1589746']",0.35270295,"{'V': 6.0, 'Ge': 2.0}",108.26363799652664,[],FM,True,223,1,"[0.1, 0.1, 0.1, 0.1, 0.1, 0.1, 0.0, 0.0]",0.006515630853109,0.35270295,6,0.7054059,MP,data/source/MP/cleaned/cifs/MP-mp-1221.cif,False,,data/final/MP/graphs/Ge1V3-MP-mp-1221.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B2C1Ho0.8La0.2Ni2,3,0.0666666666666666,1.0,True,B2C1Ho0.8La0.2Ni2,B2C1Ho1Ni2,1.3,Other,True,B33.333C16.667Ho13.333La3.333Ni33.333,B-C-Ho-La-Ni,5,Supercon,Ho0.8La0.2Ni2B2C1,MP-mp-6646,Ho1Ni2B2C1,B-C-Ho-Ni,B33.333C16.667Ho16.667Ni33.333,I 4/m m m,tetragonal,3.529863997734658,3.529863997734658,5.76032203,data/final/MP/cifs/B2C1Ho0.8La0.2Ni2-MP-mp-6646-synth_doped.cif,data/source/MP/raw/cifs/mp-6646.cif,mp-6646,0.0,,2011-05-13 04:24:09,8.11075125231065,10.17188/1281460,"@misc{osti_1281460,
    author = ""Persson, Kristin"",
    title = ""Materials Data on HoNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281460"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1670774'}},0.0,6.70981387,520.0,-41.84364575,-6.973940958333333,{'tags': ['Holmium dinickel diboride carbide']},-41.84364575,-6.973940958333333,-0.5192332130555558,"['xas', 'elasticity', 'bandstructure']",True,"[79064, 56650, 79065, 79062, 79063, 79575]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6646,,HoNi2B2C,"{'functional': 'PBE', 'labels': ['Ho_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Ho': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6646,"['mp-1007146', 'mp-6646', 'mp-1000682', 'mp-1439301', 'mp-1670774', 'mp-1782657', 'mp-1011887', 'mp-1589032']",0.0032459,"{'Ho': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",64.68537905730652,[],NM,False,139,0,"[0.0, -0.0, -0.0, 0.0, 0.0, 0.0]",5.017980952271099e-05,0.0032459,0,0.0032459,MP,data/source/MP/cleaned/cifs/MP-mp-6646.cif,True,,data/final/MP/graphs/B2C1Ho0.8La0.2Ni2-MP-mp-6646-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ca1Mg2,1,0.0,4.0,False,Ca4Mg8,Ca4Mg8,0.0,Other,True,Ca33.333Mg66.667,Ca-Mg,2,Supercon,Ca1Mg2,MP-mp-2432,Ca4Mg8,Ca-Mg,Ca33.333Mg66.667,P 63/m m c,hexagonal,6.264629997793628,6.26462937,10.007437,data/final/MP/cifs/Ca1Mg2-MP-mp-2432.cif,data/source/MP/raw/cifs/mp-2432.cif,mp-2432,0.0,,2011-05-14 17:51:06,1.7319273075223225,10.17188/1200032,"@misc{osti_1200032,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CaMg2 (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200032"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1705071'}},0.0,2.75450428,520.0,-22.09762051,-1.8414683758333328,{'tags': ['Calcium magnesium (1/2)']},-22.09762051,-1.8414683758333328,-0.1060817158333329,"['xas', 'elasticity', 'bandstructure']",True,"[370044, 412683, 619400, 165564, 58912]",True,2021-05-12 10:56:16.728000,NM,12,7,mp-2432,,CaMg2,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Mg_pv'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Mg': 2.0}",GGA,mp-2432,"['mp-918628', 'mp-919643', 'mp-905497', 'mp-2432', 'mp-1416270', 'mp-1705071', 'mp-1843646']",0.021629175,"{'Ca': 4.0, 'Mg': 8.0}",340.1294918071443,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",0.0002543640057212,0.021629175,0,0.0865167,MP,data/source/MP/cleaned/cifs/MP-mp-2432.cif,False,,data/final/MP/graphs/Ca1Mg2-MP-mp-2432.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ga0.957Ge0.043V3,2,0.0215,2.0,False,Ga1.914Ge0.086V6,Ga2V6,13.1,Other,True,Ga23.925Ge1.075V75,Ga-Ge-V,3,Supercon,V3Ga0.957Ge0.043,MP-mp-22568,V6Ga2,Ga-V,Ga25V75,P m -3 n,cubic,4.789645,4.789645,4.789645,data/final/MP/cifs/Ga0.957Ge0.043V3-MP-mp-22568-synth_doped.cif,data/source/MP/raw/cifs/mp-22568.cif,mp-22568,0.0,,2014-02-22 11:36:40,6.726541666276222,10.17188/1198793,"@misc{osti_1198793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686867'}},0.0,5.67452231,520.0,-61.95244347,-7.74405543375,{'tags': ['Gallium vanadium (1/3)']},-61.95244347,-7.74405543375,-0.1741018756249994,"['xas', 'elasticity', 'bandstructure']",True,"[635643, 635628, 635619, 635634, 104021, 635646, 635604, 635610, 635617, 635624, 635626, 635605, 635631, 635625, 635636, 635603, 104020, 635616, 635607]",True,2021-05-12 10:56:16.728000,FM,8,9,mp-22568,,V3Ga,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ga': 1.0}",GGA,mp-22568,"['mp-941343', 'mp-941663', 'mp-934924', 'mp-22568', 'mp-1440749', 'mp-1686867', 'mp-1804076', 'mp-1593784', 'mp-1595713']",0.09063635,"{'V': 6.0, 'Ga': 2.0}",109.87780534443452,[],FM,True,131,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0, -0.0, -0.0]",0.0016497662965852,0.09063635,2,0.1812727,MP,data/source/MP/cleaned/cifs/MP-mp-22568.cif,True,,data/final/MP/graphs/Ga0.957Ge0.043V3-MP-mp-22568-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Bi2Se3,1,0.0,1.0,True,Bi2Se3,Bi2Se3,4.898,Other,True,Bi40Se60,Bi-Se,2,Supercon,Bi2Se3,MP-mp-541837,Bi2Se3,Bi-Se,Bi40Se60,R -3 m,trigonal,4.189766129949006,4.189766129949006,10.42166891,data/final/MP/cifs/Bi2Se3-MP-mp-541837.cif,data/source/MP/raw/cifs/mp-541837.cif,mp-541837,0.5434000000000001,,2014-03-04 20:28:07,7.056072307673697,10.17188/1266263,"@misc{osti_1266263,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Bi2Se3 (SG:166) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1266263"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1069458'}},0.0,3.28797875,520.0,-20.19891165,-4.03978233,"{'tags': ['Bismuth selenide', 'Bismuth selenide (2/3)', 'Paraguanajuatite']}",-20.19891165,-4.03978233,-0.6694217194062496,"['diel', 'eos', 'elasticity', 'bandstructure']",True,"[617101, 20385, 617083, 42545, 617072, 165226, 617079]",True,2021-05-12 10:56:22.739000,NM,5,21,mp-541837,,Bi2Se3,"{'functional': 'PBE', 'labels': ['Bi', 'Se'], 'pot_type': 'paw'}","{'Bi': 2.0, 'Se': 3.0}",GGA,mp-541837,"['mp-925855', 'mp-909870', 'mp-924887', 'mp-541837', 'mp-1068960', 'mp-1069018', 'mp-1068982', 'mp-1069440', 'mp-1069448', 'mp-1069458', 'mp-1070734', 'mp-1070756', 'mp-1070785', 'mp-1142301', 'mp-1237221', 'mp-1439862', 'mp-1780759', 'mp-1590342', 'mp-1069459', 'mp-1070776', 'mp-1069013']",0.0031875,"{'Bi': 2.0, 'Se': 3.0}",154.10680097779445,[],NM,False,166,0,"[0, 0, 0, 0, 0]",2.068370753124188e-05,0.0031875,0,0.0031875,MP,data/source/MP/cleaned/cifs/MP-mp-541837.cif,False,,data/final/MP/graphs/Bi2Se3-MP-mp-541837.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
B2Dy1Ru3,1,0.0,1.0,True,B2Dy1Ru3,B2Dy1Ru3,0.0,Other,True,B33.333Dy16.667Ru50,B-Dy-Ru,3,Supercon,Dy1Ru3B2,MP-mp-3092,Dy1B2Ru3,B-Dy-Ru,B33.333Dy16.667Ru50,P 6/m m m,hexagonal,3.036716,5.509099997969852,5.50909952,data/final/MP/cifs/B2Dy1Ru3-MP-mp-3092.cif,data/source/MP/raw/cifs/mp-3092.cif,mp-3092,0.0,,2011-05-13 06:59:15,10.138599243086388,10.17188/1205263,"@misc{osti_1205263,
    author = ""Persson, Kristin"",
    title = ""Materials Data on DyB2Ru3 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1205263"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696642'}},0.0,6.50099641,520.0,-48.62876262,-8.10479377,{'tags': ['Dysprosium ruthenium boride (1/3/2)']},-48.62876262,-8.10479377,-0.4733372122222228,"['xas', 'elasticity', 'bandstructure']",True,"[44213, 613684]",True,2021-05-12 10:56:18.721000,NM,6,8,mp-3092,,DyB2Ru3,"{'functional': 'PBE', 'labels': ['Dy_3', 'B', 'Ru_pv'], 'pot_type': 'paw'}","{'Dy': 1.0, 'B': 2.0, 'Ru': 3.0}",GGA,mp-3092,"['mp-1007442', 'mp-1001001', 'mp-3092', 'mp-1441861', 'mp-1696642', 'mp-1799672', 'mp-1012200', 'mp-1590474']",0.0002516,"{'Dy': 1.0, 'B': 2.0, 'Ru': 3.0}",79.81712315496992,[],NM,False,191,0,"[0, 0, 0, 0, 0, 0]",3.1522058181864423e-06,0.0002516,0,0.0002516,MP,data/source/MP/cleaned/cifs/MP-mp-3092.cif,False,,data/final/MP/graphs/B2Dy1Ru3-MP-mp-3092.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Ca1Cu2Hg1O6.3,2,0.024390243902439,0.9522761904761904,True,Ba1.905Ca0.952Cu1.905Hg0.952O6,Ba2Ca1Cu2Hg1O6,100.0,Cuprate,True,Ba16.26Ca8.13Cu16.26Hg8.13O51.21951219512194,Ba-Ca-Cu-Hg-O,5,Supercon,Hg1Ba2Ca1Cu2O6.3,MP-mp-6879,Ba2Ca1Cu2Hg1O6,Ba-Ca-Cu-Hg-O,Ba16.667Ca8.333Cu16.667Hg8.333O50,P 4/m m m,tetragonal,3.904834,3.904834,13.058604,data/final/MP/cifs/Ba2Ca1Cu2Hg1O6.3-MP-mp-6879-synth_doped.cif,data/source/MP/raw/cifs/mp-6879.cif,mp-6879,0.0,,2011-05-14 23:17:39,6.158075338837193,10.17188/1284432,"@misc{osti_1284432,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2CaCu2HgO6 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1284432"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698891'}},0.017586347638888,3.04291167,520.0,-64.08791228,-5.3406593566666665,"{'tags': ['High pressure experimental phase', 'Mercury dibarium calcium dicopper oxide', 'Mercury barium calcium copper oxide (1/2/1/2/6)']}",-64.08791228,-5.3406593566666665,-2.0147092504166664,"['bandstructure', 'elasticity']",True,"[83087, 75729, 75727, 75726, 75725, 75728]",True,2021-05-12 10:56:27.046000,NM,12,12,mp-6879,oxide,Ba2CaCu2HgO6,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ca_sv', 'Cu_pv', 'Hg', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Hg': 1.0, 'O': 6.0}",GGA,mp-6879,"['mp-917434', 'mp-924375', 'mp-6879', 'mp-923788', 'mvc-16307', 'mp-1045026', 'mp-1045039', 'mp-1422313', 'mp-1698891', 'mp-1833979', 'mp-1592102', 'mp-1045044']",0.0305618,"{'Ba': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Hg': 1.0, 'O': 6.0}",199.11404926320108,[],NM,False,123,0,"[0.0, 0.0, 0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001534889181004,0.0305618,0,0.0305618,MP,data/source/MP/cleaned/cifs/MP-mp-6879.cif,True,,data/final/MP/graphs/Ba2Ca1Cu2Hg1O6.3-MP-mp-6879-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ce0.04Cu1Pr1.96O4,2,0.0114285714285714,1.0,True,Ce0.04Cu1Pr1.96O4,Cu1Pr2O4,23.6,Cuprate,True,Ce0.571Cu14.286Pr28O57.142857142857146,Ce-Cu-Pr-O,4,Supercon,Pr1.96Ce0.04Cu1O4,MP-mp-4181,Pr2Cu1O4,Cu-Pr-O,Cu14.286Pr28.571O57.142857142857146,I 4/m m m,tetragonal,3.995734002478021,3.995734002478021,6.85109716,data/final/MP/cifs/Ce0.04Cu1Pr1.96O4-MP-mp-4181-synth_doped.cif,data/source/MP/raw/cifs/mp-4181.cif,mp-4181,0.0,,2011-05-13 10:21:01,6.821515862307185,10.17188/1207928,"@misc{osti_1207928,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Pr2CuO4 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207928"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-669887'}},0.0,3.15418113,520.0,-51.2919541,-7.327422014285714,"{'tags': ['Dipraseodymium cuprate', 'Dipraseodymium copper oxide', 'Praseodymium cuprate', 'Dipraseodymium copper tetraoxide']}",-51.2919541,-7.327422014285714,-2.9410150171428566,"['xas', 'elasticity', 'bandstructure']",True,"[91071, 261374, 71180, 186589, 185267, 185268, 65925, 65924, 191813, 261373, 202884, 72241]",True,2021-05-12 10:56:20.740000,NM,7,12,mp-4181,oxide,Pr2CuO4,"{'functional': 'PBE', 'labels': ['Pr_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Pr': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-4181,"['mp-669887', 'mp-660138', 'mp-4181', 'mp-1077961', 'mp-1077976', 'mp-1077987', 'mp-1078042', 'mp-1442060', 'mp-1687781', 'mp-1797293', 'mp-1589370', 'mp-688743']",0.0084498,"{'Pr': 2.0, 'Cu': 1.0, 'O': 4.0}",99.64888441679796,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",8.479573102552068e-05,0.0084498,0,0.0084498,MP,data/source/MP/cleaned/cifs/MP-mp-4181.cif,True,,data/final/MP/graphs/Ce0.04Cu1Pr1.96O4-MP-mp-4181-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ni1Zr3,1,0.0,2.0,False,Ni2Zr6,Ni2Zr6,3.35,Other,True,Ni25Zr75,Ni-Zr,2,Supercon,Ni1Zr3,MP-mp-1188073,Zr6Ni2,Ni-Zr,Ni25Zr75,P 63/m m c,hexagonal,4.896295,6.064418005027057,6.06441883,data/final/MP/cifs/Ni1Zr3-MP-mp-1188073.cif,data/source/MP/raw/cifs/mp-1188073.cif,mp-1188073,0.0,,2019-01-11 15:34:08.753000,7.07812709883652,,,{'GGA': {'task_id': 'mp-1730307'}},0.2678923887499991,4.81016384,520.0,-62.64172784,-7.83021598,{'tags': []},-62.64172784,-7.83021598,0.0255936624999986,['bandstructure'],True,[],True,2021-05-12 10:58:31.620000,NM,8,5,mp-1188073,,Zr3Ni,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Ni_pv'], 'pot_type': 'paw'}","{'Zr': 3.0, 'Ni': 1.0}",GGA,mp-1188073,"['mp-1188073', 'mp-1399727', 'mp-1730307', 'mp-1929912', 'mp-1619498']",0.00082625,"{'Zr': 6.0, 'Ni': 2.0}",155.94682700084778,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",1.0596560582736426e-05,0.00082625,0,0.0016525,MP,data/source/MP/cleaned/cifs/MP-mp-1188073.cif,False,,data/final/MP/graphs/Ni1Zr3-MP-mp-1188073.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ti1O0.92,2,0.0416666666666666,1.0,True,Ti1O0.92,Ti1O1,0.72,Oxide,True,Ti52.083O47.91666666666667,Ti-O,2,Supercon,O0.92Ti1,MP-mp-755264,Ti1O1,Ti-O,Ti50O50,P -6 m 2,hexagonal,2.826454000949149,2.82645403,2.837852,data/final/MP/cifs/Ti1O0.92-MP-mp-755264-synth_doped.cif,data/source/MP/raw/cifs/mp-755264.cif,mp-755264,0.0,,2014-05-07 10:26:06,5.401536443991029,10.17188/1289883,"@misc{osti_1289883,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TiO (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1289883"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1674817'}},0.0975947549999993,8.97042791,520.0,-17.77717607,-8.888588035,{'tags': []},-17.77717607,-8.888588035,-2.810361524166668,"['xas', 'elasticity', 'bandstructure']",True,[],True,2021-05-12 10:56:29.056000,NM,2,9,mp-755264,oxide,TiO,"{'functional': 'PBE', 'labels': ['Ti_pv', 'O'], 'pot_type': 'paw'}","{'Ti': 1.0, 'O': 1.0}",GGA,mp-755264,"['mp-901516', 'mp-887327', 'mp-755264', 'mp-1101262', 'mp-1420847', 'mp-1674817', 'mp-1790502', 'mp-1609521', 'mp-902172']",0.0008422,"{'Ti': 1.0, 'O': 1.0}",19.63379370717402,[],NM,False,187,0,"[0, 0]",4.289542879796416e-05,0.0008422,0,0.0008422,MP,data/source/MP/cleaned/cifs/MP-mp-755264.cif,True,,data/final/MP/graphs/Ti1O0.92-MP-mp-755264-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Hf1Ru1Si1,1,0.0,6.0,False,Hf6Ru6Si6,Hf6Ru6Si6,0.0,Other,True,Hf33.333Ru33.333Si33.333,Hf-Ru-Si,3,Supercon,Hf1Ru1Si1,MP-mp-1212161,Hf6Si6Ru6,Hf-Ru-Si,Hf33.333Ru33.333Si33.333,I m a 2,orthorhombic,6.673693997380858,7.607525649778584,7.367015997691852,data/final/MP/cifs/Hf1Ru1Si1-MP-mp-1212161.cif,data/source/MP/raw/cifs/mp-1212161.cif,mp-1212161,0.0,,2019-01-12 14:23:53.507000,10.824537779435392,,,{'GGA': {'task_id': 'mp-1708974'}},0.0,7.68285755,520.0,-165.10040609,-9.172244782777778,"{'tags': ['HfRuSi orth', 'Hafnium ruthenium silicide (1/1/1)', 'TiFeSi']}",-165.10040609,-9.172244782777778,-0.9532806077777786,['bandstructure'],True,[638840],True,2021-05-12 10:58:39.488000,NM,18,5,mp-1212161,,HfSiRu,"{'functional': 'PBE', 'labels': ['Hf_pv', 'Si', 'Ru_pv'], 'pot_type': 'paw'}","{'Hf': 1.0, 'Si': 1.0, 'Ru': 1.0}",GGA,mp-1212161,"['mp-1212161', 'mp-1419342', 'mp-1708974', 'mp-1875838', 'mp-1603519']",3.3e-06,"{'Hf': 6.0, 'Si': 6.0, 'Ru': 6.0}",283.1662922647233,[],NM,False,46,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.99235768552904e-08,3.3e-06,0,1.98e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1212161.cif,False,,data/final/MP/graphs/Hf1Ru1Si1-MP-mp-1212161.json,0,True,mm2,0,0,0,6,0,0,0,0,0,1,0,1.0,False
Nb1Pt1,1,0.0,2.0,False,Nb2Pt2,Nb2Pt2,0.0,Other,True,Nb50Pt50,Nb-Pt,2,Supercon,Nb1Pt1,MP-mp-999376,Nb2Pt2,Nb-Pt,Nb50Pt50,P m m a,orthorhombic,2.829741,4.648473,5.050609,data/final/MP/cifs/Nb1Pt1-MP-mp-999376.cif,data/source/MP/raw/cifs/mp-999376.cif,mp-999376,0.0,,2016-05-24 06:04:19,14.3964802446276,10.17188/1317554,"@misc{osti_1317554,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NbPt (SG:51) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1317554"",
    place = ""United States"",
    year = ""2016"",
    month = ""9"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1699107'}},0.0,6.62778386,520.0,-34.79346237,-8.6983655925,"{'tags': ['close-packed structure', 'NbPt', 'Niobium platinum (1/1)', 'AuCd']}",-34.79346237,-8.6983655925,-0.6122592175000001,"['xas', 'elasticity', 'bandstructure']",True,[645211],True,2021-05-12 10:56:37.246000,NM,4,12,mp-999376,,NbPt,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Pt'], 'pot_type': 'paw'}","{'Nb': 1.0, 'Pt': 1.0}",GGA,mp-999376,"['mp-999417', 'mp-999376', 'mp-999406', 'mp-1066390', 'mp-1066425', 'mp-1066521', 'mp-1441663', 'mp-1699107', 'mp-1782295', 'mp-999426', 'mp-1588435', 'mp-1066455']",1.7e-06,"{'Nb': 2.0, 'Pt': 2.0}",66.43558267979266,[],NM,False,51,0,"[0, 0, 0, 0]",5.11773941441498e-08,1.7e-06,0,3.4e-06,MP,data/source/MP/cleaned/cifs/MP-mp-999376.cif,False,,data/final/MP/graphs/Nb1Pt1-MP-mp-999376.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ca2Ru2O7,1,0.0,2.0,False,Ca4Ru4O14,Ca4Ru4O14,0.0,Oxide,True,Ca18.182Ru18.182O63.63636363636364,Ca-Ru-O,3,Supercon,Ca2Ru2O7,MP-mp-554638,Ca4Ru4O14,Ca-Ru-O,Ca18.182Ru18.182O63.63636363636364,F d -3 m,cubic,7.281843620000001,7.28184362,7.28184362,data/final/MP/cifs/Ca2Ru2O7-MP-mp-554638.cif,data/source/MP/raw/cifs/mp-554638.cif,mp-554638,0.0,,2014-02-22 15:48:39,4.796095175125239,10.17188/1267993,"@misc{osti_1267993,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ca2Ru2O7 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1267993"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672323'}},0.0,3.13377982,520.0,-152.37774637,-6.9262611986363645,{'tags': ['Dicalcium diruthenate(V)']},-152.37774637,-6.9262611986363645,-2.163833370909092,"['xas', 'bandstructure']",True,[156409],True,2021-05-12 10:57:15.388000,FM,22,8,mp-554638,oxide,Ca2Ru2O7,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Ru_pv', 'O'], 'pot_type': 'paw'}","{'Ca': 2.0, 'Ru': 2.0, 'O': 7.0}",GGA,mp-554638,"['mp-1001451', 'mp-914842', 'mp-554638', 'mp-1421430', 'mp-1672323', 'mp-1925845', 'mp-1007951', 'mp-1607653']",0.5458599,"{'Ca': 4.0, 'Ru': 4.0, 'O': 14.0}",273.029167951379,[],FM,True,227,1,"[0.0, 0.0, 0.0, 0.0, 0.2, 0.2, 0.2, 0.2, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0039985464124273,0.5458599,4,1.0917198,MP,data/source/MP/cleaned/cifs/MP-mp-554638.cif,False,,data/final/MP/graphs/Ca2Ru2O7-MP-mp-554638.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ba2Ca0.15Cu4Ho0.85O8,2,0.02,1.0,True,Ba2Ca0.15Cu4Ho0.85O8,Ba2Cu4Ho1O8,87.0,Cuprate,True,Ba13.333Ca1Cu26.667Ho5.667O53.333333333333336,Ba-Ca-Cu-Ho-O,5,Supercon,Ho0.85Ca0.15Ba2Cu4O8,MP-mp-6205,Ba2Ho1Cu4O8,Ba-Cu-Ho-O,Ba13.333Cu26.667Ho6.667O53.333333333333336,C m m m,orthorhombic,3.87946,3.894348001774656,13.87398175,data/final/MP/cifs/Ba2Ca0.15Cu4Ho0.85O8-MP-mp-6205-synth_doped.cif,data/source/MP/raw/cifs/mp-6205.cif,mp-6205,0.0,,2011-05-16 02:52:11,6.575196061130729,10.17188/1278028,"@misc{osti_1278028,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2Ho(CuO2)4 (SG:65) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278028"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1678300'}},0.0,3.29099269,520.0,-89.84060384,-5.989373589333334,"{'tags': ['Holmium dibarium tricopper copper(III) oxide', 'Holmium dibarium tetracopper octaoxide', 'Holmium barium copper oxide (1/2/4/8)']}",-89.84060384,-5.989373589333334,-2.0623825726666665,"['xas', 'bandstructure']",True,"[67638, 75688, 74126, 78624, 67639]",True,2021-05-12 10:57:28.836000,NM,15,7,mp-6205,oxide,Ba2Ho(CuO2)4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ho_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Ho': 1.0, 'Cu': 4.0, 'O': 8.0}",GGA,mp-6205,"['mp-1001291', 'mp-1007620', 'mp-6205', 'mp-1381302', 'mp-1678300', 'mp-1832236', 'mp-1599331']",0.0019325,"{'Ba': 2.0, 'Ho': 1.0, 'Cu': 4.0, 'O': 8.0}",207.53304019835824,[],NM,False,65,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",9.31177030005889e-06,0.0019325,0,0.0019325,MP,data/source/MP/cleaned/cifs/MP-mp-6205.cif,True,,data/final/MP/graphs/Ba2Ca0.15Cu4Ho0.85O8-MP-mp-6205-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Pd29Zr71,3,0.0866666666666666,0.0281707139388052,False,Pd0.817Zr2,Pd1Zr2,2.49,Other,True,Pd29Zr71,Pd-Zr,2,Supercon,Pd29Zr71,MP-mp-266,Zr2Pd1,Pd-Zr,Pd33.333Zr66.667,I 4/m m m,tetragonal,3.3580019980484703,3.3580019980484703,5.91909309,data/final/MP/cifs/Pd29Zr71-MP-mp-266-synth_doped.cif,data/source/MP/raw/cifs/mp-266.cif,mp-266,0.0,,2011-05-12 21:30:36,7.845685271874635,10.17188/1201202,"@misc{osti_1201202,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Zr2Pd (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201202"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688097'}},0.0,4.68790204,520.0,-23.73938079,-7.91312693,"{'tags': ['Palladium zirconium (1/2)', 'Palladium zironium hydride (1/2/2)']}",-23.73938079,-7.91312693,-0.4880325733333326,"['xas', 'elasticity', 'bandstructure']",True,"[601954, 649146, 105758, 186412, 649158, 109133]",True,2021-05-12 10:56:18.721000,NM,3,12,mp-266,,Zr2Pd,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Pd'], 'pot_type': 'paw'}","{'Zr': 2.0, 'Pd': 1.0}",GGA,mp-266,"['mp-914366', 'mp-977842', 'mp-266', 'mp-1062819', 'mp-1062894', 'mp-1062980', 'mp-1442272', 'mp-1688097', 'mp-1784401', 'mp-992491', 'mp-1591765', 'mp-1062949']",0.0017364,"{'Zr': 2.0, 'Pd': 1.0}",61.13890405598638,[],NM,False,139,0,"[0, 0, 0]",2.8400901632288605e-05,0.0017364,0,0.0017364,MP,data/source/MP/cleaned/cifs/MP-mp-266.cif,True,,data/final/MP/graphs/Pd29Zr71-MP-mp-266-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu1Gd0.1Sr0.9O2,2,0.0499999999999999,2.0,False,Cu2Gd0.2Sr1.8O4,Cu2Sr2O4,43.5,Cuprate,True,Cu25Gd2.5Sr22.5O50,Cu-Gd-Sr-O,4,Supercon,Sr0.9Gd0.1Cu1O2,MP-mp-5787,Sr2Cu2O4,Cu-Sr-O,Cu25Sr25O50,C m c m,orthorhombic,3.644437999912225,3.974263,8.32909336,data/final/MP/cifs/Cu1Gd0.1Sr0.9O2-MP-mp-5787-synth_doped.cif,data/source/MP/raw/cifs/mp-5787.cif,mp-5787,0.0,,2011-05-13 22:43:08,5.167573150857569,10.17188/1276630,"@misc{osti_1276630,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SrCuO2 (SG:63) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276630"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703560'}},0.0,3.45760864,520.0,-45.24374469,-5.65546808625,"{'tags': ['Strontium cuprate', 'Strontium copper oxide']}",-45.24374469,-5.65546808625,-2.0778125529166664,"['xas', 'elasticity', 'bandstructure']",True,"[77291, 93653, 202992, 16217, 83051, 77293]",True,2021-05-12 10:56:27.046000,NM,8,8,mp-5787,oxide,SrCuO2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Cu': 1.0, 'O': 2.0}",GGA,mp-5787,"['mp-924142', 'mp-909103', 'mp-5787', 'mp-924940', 'mp-1475985', 'mp-1703560', 'mp-1802910', 'mp-1593696']",4e-07,"{'Sr': 2.0, 'Cu': 2.0, 'O': 4.0}",117.71572347282628,[],NM,False,63,0,"[0, 0, 0, 0, 0, 0, 0, 0]",6.796033498317439e-09,4e-07,0,8e-07,MP,data/source/MP/cleaned/cifs/MP-mp-5787.cif,True,,data/final/MP/graphs/Cu1Gd0.1Sr0.9O2-MP-mp-5787-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
B6La0.2Y0.8,3,0.0571428571428571,1.0,True,B6La0.2Y0.8,B6Y1,5.8,Other,True,B85.714La2.857Y11.429,B-La-Y,3,Supercon,Y0.8La0.2B6,MP-mp-2203,Y1B6,B-Y,B85.714Y14.286,P m -3 m,cubic,4.1021,4.1021,4.1021,data/final/MP/cifs/B6La0.2Y0.8-MP-mp-2203-synth_doped.cif,data/source/MP/raw/cifs/mp-2203.cif,mp-2203,0.0,,2011-05-12 20:11:15,3.699194842606093,10.17188/1197299,"@misc{osti_1197299,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YB6 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197299"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686414'}},0.0285229421428576,6.62579631,520.0,-49.33978236,-7.048540337142858,"{'tags': ['Yttrium boride (1/6)', 'Yttrium octahedro-hexaboride', 'Yttrium hexaboride']}",-49.33978236,-7.048540337142858,-0.3995658030952376,"['xas', 'elasticity', 'bandstructure']",True,"[194635, 615723, 54730, 615726, 615714, 659505, 76126, 615728, 615710]",True,2021-05-12 10:56:16.728000,NM,7,9,mp-2203,,YB6,"{'functional': 'PBE', 'labels': ['Y_sv', 'B'], 'pot_type': 'paw'}","{'Y': 1.0, 'B': 6.0}",GGA,mp-2203,"['mp-1000404', 'mp-1006875', 'mp-2203', 'mp-1077859', 'mp-1440131', 'mp-1686414', 'mp-1801281', 'mp-1011609', 'mp-1592923']",3.48e-05,"{'Y': 1.0, 'B': 6.0}",69.026957252261,[],NM,False,221,0,"[0, 0, 0, 0, 0, 0, 0]",5.041508620005138e-07,3.48e-05,0,3.48e-05,MP,data/source/MP/cleaned/cifs/MP-mp-2203.cif,True,,data/final/MP/graphs/B6La0.2Y0.8-MP-mp-2203-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
La3Ni1,3,0.0999999999999999,4.666833333333333,False,La14Ni4.667,La14Ni6,3.6,Other,True,La75Ni25,La-Ni,2,Supercon,La3Ni1,MP-mp-573855,La14Ni6,La-Ni,La70Ni30,P 63 m c,hexagonal,6.468251,10.109404003425496,10.10940428,data/final/MP/cifs/La3Ni1-MP-mp-573855-synth_doped.cif,data/source/MP/raw/cifs/mp-573855.cif,mp-573855,0.0,,2014-02-23 22:31:32,6.662092409389634,10.17188/1276529,"@misc{osti_1276529,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La7Ni3 (SG:186) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276529"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1766860'}},0.0,8.03333621,520.0,-108.3135858,-5.41567929,{'tags': ['Lanthanum nickel (7/3)']},-108.3135858,-5.41567929,-0.2264333125,"['xas', 'bandstructure']",True,"[641512, 104680, 104681]",True,2021-05-12 10:57:26.891000,NM,20,8,mp-573855,,La7Ni3,"{'functional': 'PBE', 'labels': ['La', 'Ni_pv'], 'pot_type': 'paw'}","{'La': 7.0, 'Ni': 3.0}",GGA,mp-573855,"['mp-929585', 'mp-929153', 'mp-912610', 'mp-573855', 'mp-1382445', 'mp-1766860', 'mp-1937068', 'mp-1637781']",0.0012676,"{'La': 14.0, 'Ni': 6.0}",572.4909383613596,[],NM,False,186,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.42836703626524e-06,0.0012676,0,0.0025352,MP,data/source/MP/cleaned/cifs/MP-mp-573855.cif,True,,data/final/MP/graphs/La3Ni1-MP-mp-573855-synth_doped.json,0,True,6mm,0,5,0,0,0,0,0,1,0,0,0,1.0,False
As1La1Ni1O1,1,0.0,2.0,False,As2La2Ni2O2,As2La2Ni2O2,2.71,Ferrite,True,As25La25Ni25O25,As-La-Ni-O,4,Supercon,La1Ni1As1O1,MP-mp-1079362,La2Ni2As2O2,As-La-Ni-O,As25La25Ni25O25,P 4/n m m,tetragonal,4.17505,4.17505,8.043113,data/final/MP/cifs/As1La1Ni1O1-MP-mp-1079362.cif,data/source/MP/raw/cifs/mp-1079362.cif,mp-1079362,0.0,,2018-04-14 20:51:09,6.834508513823669,,,{'GGA+U': {'task_id': 'mp-1670926'}},0.4514602021279756,7.44178584,520.0,-46.79067614,-5.8488345175,{'tags': []},-46.79067614,-5.8488345175,-1.5750287187500005,['bandstructure'],True,"[163836, 246061]",True,2021-05-12 10:58:16.596000,NM,8,6,mp-1079362,oxide,LaNiAsO,"{'functional': 'PBE', 'labels': ['La', 'Ni_pv', 'As', 'O'], 'pot_type': 'paw'}","{'La': 1.0, 'Ni': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-1079362,"['mp-1079362', 'mp-1080674', 'mp-1301057', 'mp-1670926', 'mp-1925373', 'mp-1593774']",0.00017445,"{'La': 2.0, 'Ni': 2.0, 'As': 2.0, 'O': 2.0}",140.19984455541027,[],NM,False,129,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.488590490998059e-06,0.00017445,0,0.0003489,MP,data/source/MP/cleaned/cifs/MP-mp-1079362.cif,False,,data/final/MP/graphs/As1La1Ni1O1-MP-mp-1079362.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ba2Cl1Cu2Nb1Pb2O8,1,0.0,1.0,True,Ba2Cl1Cu2Nb1Pb2O8,Ba2Cl1Cu2Nb1Pb2O8,0.0,Cuprate,True,Ba12.5Cl6.25Cu12.5Nb6.25Pb12.5O50,Ba-Cl-Cu-Nb-Pb-O,6,Supercon,Pb2Ba2Cu2Nb1O8Cl,MP-mp-1228495,Ba2Nb1Cu2Pb2Cl1O8,Ba-Cl-Cu-Nb-Pb-O,Ba12.5Cl6.25Cu12.5Nb6.25Pb12.5O50,A m m 2,orthorhombic,4.01077821,4.01077821,15.948873,data/final/MP/cifs/Ba2Cl1Cu2Nb1Pb2O8-MP-mp-1228495.cif,data/source/MP/raw/cifs/mp-1228495.cif,mp-1228495,0.0,,2019-01-13 04:12:02.372000,6.941605569834926,,,,0.0261591114453256,3.87000118,520.0,-99.75638693,-6.234774183125,{'tags': []},-99.75638693,-6.234774183125,-2.1794505031250004,[],False,[],True,2021-05-12 11:00:59.151000,NM,16,3,mp-1228495,oxide,Ba2NbCu2Pb2ClO8,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Nb_pv', 'Cu_pv', 'Pb_d', 'Cl', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Nb': 1.0, 'Cu': 2.0, 'Pb': 2.0, 'Cl': 1.0, 'O': 8.0}",GGA,mp-1228495,"['mp-1228495', 'mp-1370848', 'mp-1868804']",0.0143759,"{'Ba': 2.0, 'Nb': 1.0, 'Cu': 2.0, 'Pb': 2.0, 'Cl': 1.0, 'O': 8.0}",256.55867279182064,[],NM,False,38,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",5.60335764274281e-05,0.0143759,0,0.0143759,MP,data/source/MP/cleaned/cifs/MP-mp-1228495.cif,False,,data/final/MP/graphs/Ba2Cl1Cu2Nb1Pb2O8-MP-mp-1228495.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
C1Mo0.9V0.1,3,0.0999999999999999,1.0,True,C1Mo0.9V0.1,C1Mo1,13.3,Other,True,C50Mo45V5,C-Mo-V,3,Supercon,Mo0.9V0.1C1,MP-mp-2305,Mo1C1,C-Mo,C50Mo50,P -6 m 2,hexagonal,2.835086,2.92410600478411,2.92410507,data/final/MP/cifs/C1Mo0.9V0.1-MP-mp-2305-synth_doped.cif,data/source/MP/raw/cifs/mp-2305.cif,mp-2305,0.0,,2011-05-12 17:49:42,8.538697979393088,10.17188/1199194,"@misc{osti_1199194,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MoC (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199194"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668222'}},0.0010243049999996,8.62658168,520.0,-20.24014809,-10.120074045,{'tags': ['Molybdenum carbide (1/1)']},-20.24014809,-10.120074045,-0.0838621800000005,"['xas', 'elasticity', 'bandstructure']",True,"[77156, 618300]",True,2021-05-12 10:56:16.728000,NM,2,9,mp-2305,,MoC,"{'functional': 'PBE', 'labels': ['Mo_pv', 'C'], 'pot_type': 'paw'}","{'Mo': 1.0, 'C': 1.0}",GGA,mp-2305,"['mp-927633', 'mp-927239', 'mp-911174', 'mp-2305', 'mp-1116092', 'mp-1440368', 'mp-1668222', 'mp-1791400', 'mp-1638434']",0.0001977,"{'Mo': 1.0, 'C': 1.0}",20.99340614335182,[],NM,False,187,0,"[0, 0]",9.417242664197564e-06,0.0001977,0,0.0001977,MP,data/source/MP/cleaned/cifs/MP-mp-2305.cif,True,,data/final/MP/graphs/C1Mo0.9V0.1-MP-mp-2305-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
P1Sn1,1,0.0,1.0,True,P1Sn1,P1Sn1,2.0,Other,True,P50Sn50,P-Sn,2,Supercon,P1Sn1,MP-mp-7526,Sn1P1,P-Sn,P50Sn50,I 4 m m,tetragonal,3.8644479977895534,4.095459150000001,3.8644479977895534,data/final/MP/cifs/P1Sn1-MP-mp-7526.cif,data/source/MP/raw/cifs/mp-7526.cif,mp-7526,0.0,,2011-05-27 17:10:24,5.455968356537677,10.17188/1288705,"@misc{osti_1288705,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SnP (SG:107) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1288705"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687406'}},0.0406194620833328,7.46209555,520.0,-9.41606329,-4.708031645,{'tags': ['Tin phosphide (1/1)']},-9.41606329,-4.708031645,0.0034055358333331,['bandstructure'],True,[16077],True,2021-05-12 10:58:55.498000,NM,2,8,mp-7526,,SnP,"{'functional': 'PBE', 'labels': ['Sn_d', 'P'], 'pot_type': 'paw'}","{'Sn': 1.0, 'P': 1.0}",GGA,mp-7526,"['mp-1000708', 'mp-7526', 'mp-1007168', 'mp-1439588', 'mp-1687406', 'mp-1928756', 'mp-1011913', 'mp-1595991']",9.72e-05,"{'Sn': 1.0, 'P': 1.0}",45.55666715677003,[],NM,False,107,0,"[0, 0]",2.1336064744489416e-06,9.72e-05,0,9.72e-05,MP,data/source/MP/cleaned/cifs/MP-mp-7526.cif,False,,data/final/MP/graphs/P1Sn1-MP-mp-7526.json,0,True,4mm,0,0,0,0,5,0,0,0,0,1,0,1.0,False
Ba2Ca0.01Cu4Y0.99O8,2,0.0013333333333333,1.0,True,Ba2Ca0.01Cu4Y0.99O8,Ba2Cu4Y1O8,78.7,Cuprate,True,Ba13.333Ca0.067Cu26.667Y6.6O53.333333333333336,Ba-Ca-Cu-Y-O,5,Supercon,Y0.99Ca0.01Ba2Cu4O8,MP-mp-6790,Ba2Y1Cu4O8,Ba-Cu-Y-O,Ba13.333Cu26.667Y6.667O53.333333333333336,C m m m,orthorhombic,3.889922,3.899603999537882,13.88942687,data/final/MP/cifs/Ba2Ca0.01Cu4Y0.99O8-MP-mp-6790-synth_doped.cif,data/source/MP/raw/cifs/mp-6790.cif,mp-6790,0.0,,2011-05-16 03:21:24,5.936250568336678,10.17188/1283441,"@misc{osti_1283441,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2Y(CuO2)4 (SG:65) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1283441"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686864'}},0.0,3.31391536,520.0,-91.58381472,-6.105587648,"{'tags': ['Yttrium barium copper oxide (1/2/4/8)', 'High pressure experimental phase']}",-91.58381472,-6.105587648,-2.0529924817777783,"['xas', 'bandstructure']",True,"[72261, 85273, 74251, 400273, 85277, 85275, 400280, 67632, 85272, 67631, 83920, 66613, 85279, 400277, 75689, 74259, 85278, 85280, 66603, 94265, 400276, 88873, 71417, 75712, 97052, 66605, 72258, 85281, 85274, 400279, 66604, 69698]",True,2021-05-12 10:57:34.594000,NM,15,10,mp-6790,oxide,Ba2Y(CuO2)4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Y_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Y': 1.0, 'Cu': 4.0, 'O': 8.0}",GGA,mp-6790,"['mp-1000664', 'mp-6790', 'mp-1007136', 'mp-1237713', 'mp-1440937', 'mp-1686864', 'mp-1834179', 'mp-1011883', 'mp-1590064', 'mp-1590433']",0.0004643,"{'Ba': 2.0, 'Y': 1.0, 'Cu': 4.0, 'O': 8.0}",208.60454115924333,[],NM,False,65,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.225742533790601e-06,0.0004643,0,0.0004643,MP,data/source/MP/cleaned/cifs/MP-mp-6790.cif,True,,data/final/MP/graphs/Ba2Ca0.01Cu4Y0.99O8-MP-mp-6790-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Nb1Si2,1,0.0,3.0,False,Nb3Si6,Nb3Si6,0.0,Other,True,Nb33.333Si66.667,Nb-Si,2,Supercon,Nb1Si2,MP-mp-2478,Nb3Si6,Nb-Si,Nb33.333Si66.667,P 62 2 2,hexagonal,4.8176679956812,4.81766897,6.623298,data/final/MP/cifs/Nb1Si2-MP-mp-2478.cif,data/source/MP/raw/cifs/mp-2478.cif,mp-2478,0.0,,2011-05-13 06:58:03,5.578318704199341,10.17188/1200228,"@misc{osti_1200228,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NbSi2 (SG:180) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200228"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688079'}},0.0,8.69878574,520.0,-67.79897542,-7.533219491111112,{'tags': ['Niobium silicide (1/2)']},-67.79897542,-7.533219491111112,-0.5019084644444453,"['xas', 'elasticity', 'bandstructure']",True,"[16502, 645439, 645422, 645452, 151191, 645453, 601659, 645414, 96027]",True,2021-05-12 10:56:16.728000,NM,9,12,mp-2478,,NbSi2,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Si'], 'pot_type': 'paw'}","{'Nb': 1.0, 'Si': 2.0}",GGA,mp-2478,"['mp-1000436', 'mp-1006917', 'mp-2478', 'mp-1079586', 'mp-1138624', 'mp-1146310', 'mp-1116114', 'mp-1438613', 'mp-1688079', 'mp-1939274', 'mp-1011643', 'mp-1593511']",0.0008173666666666,"{'Nb': 3.0, 'Si': 6.0}",133.13087324144072,[],NM,False,180,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0]",1.841871791491198e-05,0.0008173666666666,0,0.0024521,MP,data/source/MP/cleaned/cifs/MP-mp-2478.cif,False,,data/final/MP/graphs/Nb1Si2-MP-mp-2478.json,0,True,622,0,4,0,0,0,0,0,1,0,0,0,0.5,False
As1F0.154Fe1Pr1O0.846,3,0.077,2.0,False,As2F0.308Fe2Pr2O1.692,As2Fe2Pr2O2,46.4,Ferrite,True,As25F3.85Fe25Pr25O21.15,As-F-Fe-Pr-O,5,Supercon,Pr1Fe1As1F0.154O0.846,MP-mp-22491,Pr2Fe2As2O2,As-Fe-Pr-O,As25Fe25Pr25O25,P 4/n m m,tetragonal,4.094889,4.094889,9.258722,data/final/MP/cifs/As1F0.154Fe1Pr1O0.846-MP-mp-22491-synth_doped.cif,data/source/MP/raw/cifs/mp-22491.cif,mp-22491,0.0,,2014-02-25 19:17:30,6.153806906111091,,,{'GGA+U': {'task_id': 'mp-1695715'}},0.3808778432291664,4.12348168,520.0,-51.7633941,-6.4704242625,{'tags': ['Praseodymium iron arsenic oxide (1/1/1/1)']},-51.7633941,-6.4704242625,-1.491677511249999,"['xas', 'bandstructure']",True,"[162830, 162833, 246832, 90316, 422000, 236649, 236648, 602491]",True,2021-05-12 10:57:10.838000,FM,8,8,mp-22491,oxide,PrFeAsO,"{'functional': 'PBE', 'labels': ['Pr_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Pr': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-22491,"['mp-510622', 'mp-1079608', 'mp-1079857', 'mp-22491', 'mp-1476145', 'mp-1695715', 'mp-1778524', 'mp-1596397']",3.7947681,"{'Pr': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",155.25132378854377,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, 0.0, 0.0, 0.0, 0.0]",0.0488854846116297,3.7947681,2,7.5895362,MP,data/source/MP/cleaned/cifs/MP-mp-22491.cif,True,,data/final/MP/graphs/As1F0.154Fe1Pr1O0.846-MP-mp-22491-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
In1Zr3,1,0.0,1.0,True,In1Zr3,In1Zr3,0.0,Other,True,In25Zr75,In-Zr,2,Supercon,In1Zr3,MP-mp-20695,Zr3In1,In-Zr,In25Zr75,P m -3 m,cubic,4.478436,4.478436,4.478436,data/final/MP/cifs/In1Zr3-MP-mp-20695.cif,data/source/MP/raw/cifs/mp-20695.cif,mp-20695,0.0,,2014-02-21 08:35:56,7.182073164977955,10.17188/1195850,"@misc{osti_1195850,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Zr3In (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195850"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704956'}},0.0,5.61947612,520.0,-29.39741972,-7.34935493,{'tags': ['Indium zirconium (1/3)']},-29.39741972,-7.34935493,-0.2506585250000004,"['xas', 'elasticity', 'bandstructure']",True,"[59577, 640717]",True,2021-05-12 10:56:14.760000,NM,4,8,mp-20695,,Zr3In,"{'functional': 'PBE', 'labels': ['Zr_sv', 'In_d'], 'pot_type': 'paw'}","{'Zr': 3.0, 'In': 1.0}",GGA,mp-20695,"['mp-993624', 'mp-991725', 'mp-20695', 'mp-1412938', 'mp-1704956', 'mp-1782803', 'mp-994928', 'mp-1596836']",0.0002154,"{'Zr': 3.0, 'In': 1.0}",89.82125455490456,[],NM,False,221,0,"[0, 0, 0, 0]",2.398096097269868e-06,0.0002154,0,0.0002154,MP,data/source/MP/cleaned/cifs/MP-mp-20695.cif,False,,data/final/MP/graphs/In1Zr3-MP-mp-20695.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Hf1Os1Si1,1,0.0,6.0,False,Hf6Os6Si6,Hf6Os6Si6,0.0,Other,True,Hf33.333Os33.333Si33.333,Hf-Os-Si,3,Supercon,Hf1Os1Si1,MP-mp-1189249,Hf6Si6Os6,Hf-Os-Si,Hf33.333Os33.333Si33.333,I m a 2,orthorhombic,6.663218002102456,7.604278180181739,7.400486003436594,data/final/MP/cifs/Hf1Os1Si1-MP-mp-1189249.cif,data/source/MP/raw/cifs/mp-1189249.cif,mp-1189249,0.0,,2019-01-11 20:03:08.216000,13.949402913484032,,,{'GGA': {'task_id': 'mp-1707764'}},0.0,7.90374836,520.0,-175.09878304,-9.727710168888889,"{'tags': ['TiFeSi', 'HfOsSi orth', 'Hafnium osmium silicide (1/1/1)']}",-175.09878304,-9.727710168888889,-0.8577537938888895,['bandstructure'],True,[638752],True,2021-05-12 10:58:33.577000,NM,18,5,mp-1189249,,HfSiOs,"{'functional': 'PBE', 'labels': ['Hf_pv', 'Si', 'Os_pv'], 'pot_type': 'paw'}","{'Hf': 1.0, 'Si': 1.0, 'Os': 1.0}",GGA,mp-1189249,"['mp-1189249', 'mp-1428425', 'mp-1707764', 'mp-1877525', 'mp-1603497']",2.0500000000000003e-06,"{'Hf': 6.0, 'Si': 6.0, 'Os': 6.0}",283.41472621232435,[],NM,False,46,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.3399297433772986e-08,2.0500000000000003e-06,0,1.23e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1189249.cif,False,,data/final/MP/graphs/Hf1Os1Si1-MP-mp-1189249.json,0,True,mm2,0,0,0,6,0,0,0,0,0,1,0,1.0,False
As2Fe1.8Ni0.2Sr1,3,0.0799999999999999,1.0,True,As2Fe1.8Ni0.2Sr1,As2Fe2Sr1,7.4,Ferrite,True,As40Fe36Ni4Sr20,As-Fe-Ni-Sr,4,Supercon,Sr1Fe1.8Ni0.2As2,MP-mp-4488,Sr1Fe2As2,As-Fe-Sr,As40Fe40Sr20,I 4/m m m,tetragonal,3.9729799997357778,3.9729799997357778,6.45523327,data/final/MP/cifs/As2Fe1.8Ni0.2Sr1-MP-mp-4488-synth_doped.cif,data/source/MP/raw/cifs/mp-4488.cif,mp-4488,0.0,,2011-05-13 03:37:13,6.319998834487784,10.17188/1208187,"@misc{osti_1208187,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208187"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672865'}},0.0,5.13397273,520.0,-30.61898897,-6.123797794,"{'tags': ['Strontium diiron arsenide - HT', 'Strontium diiron arsenide', 'Strontium diiron diarsenide', 'Iron strontium arsenide (2/1/2)', 'Strontium diiron arsenide - LT']}",-30.61898897,-6.123797794,-0.5342483613333335,"['xas', 'elasticity', 'bandstructure']",True,"[182330, 181993, 610527, 163209, 163208, 163869]",True,2021-05-12 10:56:20.740000,NM,5,8,mp-4488,,Sr(FeAs)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-4488,"['mp-906356', 'mp-920135', 'mp-919110', 'mp-4488', 'mp-1439153', 'mp-1672865', 'mp-1873948', 'mp-1592272']",0.0029206,"{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",91.7377588211838,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",3.183640016422098e-05,0.0029206,0,0.0029206,MP,data/source/MP/cleaned/cifs/MP-mp-4488.cif,True,,data/final/MP/graphs/As2Fe1.8Ni0.2Sr1-MP-mp-4488-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ca0.5Cu2Ga1Sr2Y0.5O7,1,0.0,2.0,False,Ca1Cu4Ga2Sr4Y1O14,Ca1Cu4Ga2Sr4Y1O14,35.0,Cuprate,True,Ca3.846Cu15.385Ga7.692Sr15.385Y3.846O53.84615384615385,Ca-Cu-Ga-Sr-Y-O,6,Supercon,Ga1Sr2Y0.5Ca0.5Cu2O7,MP-mp-1218546,Sr4Ca1Y1Ga2Cu4O14,Ca-Cu-Ga-Sr-Y-O,Ca3.846Cu15.385Ga7.692Sr15.385Y3.846O53.84615384615385,C 1 2 1,monoclinic,5.395410001165968,5.50183153,12.23851722,data/final/MP/cifs/Ca0.5Cu2Ga1Sr2Y0.5O7-MP-mp-1218546.cif,data/source/MP/raw/cifs/mp-1218546.cif,mp-1218546,0.0,,2019-01-12 19:41:46.800000,5.2818649947650655,,,,0.0215927057772509,2.78925142,520.0,-159.54941305,-6.1365158865384615,{'tags': []},-159.54941305,-6.1365158865384615,-2.392803671089744,[],False,[],True,2021-05-12 11:00:42.526000,FM,26,3,mp-1218546,oxide,Sr4CaYGa2(Cu2O7)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Y_sv', 'Ga_d', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 4.0, 'Ca': 1.0, 'Y': 1.0, 'Ga': 2.0, 'Cu': 4.0, 'O': 14.0}",GGA,mp-1218546,"['mp-1218546', 'mp-1379849', 'mp-1841784']",0.4705663,"{'Sr': 4.0, 'Ca': 1.0, 'Y': 1.0, 'Ga': 2.0, 'Cu': 4.0, 'O': 14.0}",344.9071967816306,[],FM,True,5,2,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.1, 0.1, 0.1, 0.1, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0013643272868496,0.4705663,4,0.4705663,MP,data/source/MP/cleaned/cifs/MP-mp-1218546.cif,False,,data/final/MP/graphs/Ca0.5Cu2Ga1Sr2Y0.5O7-MP-mp-1218546.json,0,True,2,0,0,1,0,0,0,0,0,1,0,0,1.0,False
In0.5Sn0.5Te1,1,0.0,2.0,False,In1Sn1Te2,In1Sn1Te2,4.4,Other,True,In25Sn25Te50,In-Sn-Te,3,Supercon,Sn0.5In0.5Te1,MP-mp-1223695,In1Sn1Te2,In-Sn-Te,In25Sn25Te50,R -3 m,trigonal,4.491411991560907,4.491411991560907,7.74007114,data/final/MP/cifs/In0.5Sn0.5Te1-MP-mp-1223695.cif,data/source/MP/raw/cifs/mp-1223695.cif,mp-1223695,0.0,,2019-01-13 00:03:17.400000,6.36982665353929,,,{'GGA': {'task_id': 'mp-1759626'}},0.0,6.13876223,520.0,-14.23566962,-3.558917405,{'tags': []},-14.23566962,-3.558917405,-0.5079530437499997,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,4,5,mp-1223695,,InSnTe2,"{'functional': 'PBE', 'labels': ['In_d', 'Sn_d', 'Te'], 'pot_type': 'paw'}","{'In': 1.0, 'Sn': 1.0, 'Te': 2.0}",GGA,mp-1223695,"['mp-1223695', 'mp-1442704', 'mp-1759626', 'mp-1790023', 'mp-1627352']",0.0015569,"{'In': 1.0, 'Sn': 1.0, 'Te': 2.0}",127.40565498597348,[],NM,False,166,0,"[0, 0, 0, 0]",1.2220022731105652e-05,0.0015569,0,0.0015569,MP,data/source/MP/cleaned/cifs/MP-mp-1223695.cif,False,,data/final/MP/graphs/In0.5Sn0.5Te1-MP-mp-1223695.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Si0.2V0.8,3,0.1,8.0,False,Si1.6V6.4,Si2V6,7.51,Other,True,Si20V80,Si-V,2,Supercon,Si0.2V0.8,MP-mp-2567,V6Si2,Si-V,Si25V75,P m -3 n,cubic,4.702381,4.702381,4.702381,data/final/MP/cifs/Si0.2V0.8-MP-mp-2567-synth_doped.cif,data/source/MP/raw/cifs/mp-2567.cif,mp-2567,0.0,,2011-05-13 19:15:43,5.778142190030859,10.17188/1200874,"@misc{osti_1200874,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Si (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1200874"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668672'}},0.0,7.30599425,520.0,-69.05773321,-8.63221665125,{'tags': ['Vanadium silicide (3/1)']},-69.05773321,-8.63221665125,-0.4452085937499994,"['xas', 'elasticity', 'bandstructure']",True,"[652491, 87328, 652522, 652502, 652510, 652520, 600518, 186003, 652507, 652513, 652497, 601150, 652514, 652487, 22412, 652509, 652529, 652532, 652499, 652539, 652537, 652533, 652512, 652538, 652490, 652493, 652494, 652511, 652519, 87329, 652526, 652500]",True,2021-05-12 10:56:18.721000,FM,8,13,mp-2567,,V3Si,"{'functional': 'PBE', 'labels': ['V_pv', 'Si'], 'pot_type': 'paw'}","{'V': 3.0, 'Si': 1.0}",GGA,mp-2567,"['mp-920081', 'mp-906309', 'mp-919083', 'mp-2567', 'mp-1078474', 'mp-1078852', 'mp-1138781', 'mp-1145907', 'mp-1440678', 'mp-1668672', 'mp-1795955', 'mp-1593554', 'mp-1596575']",0.8382519,"{'V': 6.0, 'Si': 2.0}",103.98086881866836,[],FM,True,131,1,"[0.2, 0.3, 0.3, 0.2, 0.3, 0.3, 0.0, 0.0]",0.0161231947669493,0.8382519,6,1.6765038,MP,data/source/MP/cleaned/cifs/MP-mp-2567.cif,True,,data/final/MP/graphs/Si0.2V0.8-MP-mp-2567-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ce1Cu2Ge0.2Si1.8,3,0.0799999999999999,1.0,True,Ce1Cu2Ge0.2Si1.8,Ce1Cu2Si2,0.1675,Heavy_fermion,True,Ce20Cu40Ge4Si36,Ce-Cu-Ge-Si,4,Supercon,Ce1Cu2Si1.8Ge0.2,MP-mp-5452,Ce1Cu2Si2,Ce-Cu-Si,Ce20Cu40Si40,I 4/m m m,tetragonal,4.075731996715381,4.075731996715381,5.70132195,data/final/MP/cifs/Ce1Cu2Ge0.2Si1.8-MP-mp-5452-synth_doped.cif,data/source/MP/raw/cifs/mp-5452.cif,mp-5452,0.0,,2011-05-13 06:29:11,6.571257460055593,10.17188/1266988,"@misc{osti_1266988,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ce(SiCu)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1266988"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668622'}},0.0,8.51519913,520.0,-27.86039596,-5.572079192,"{'tags': ['Cerium copper silicon (1/2/2)', 'Cerium copper silicide (1/2/2)']}",-27.86039596,-5.572079192,-0.5472530850000006,"['xas', 'elasticity', 'bandstructure']",True,"[620924, 620948, 102140, 620940, 620921, 620914, 164068, 620946, 620920, 620949, 102141, 620930, 620939, 620931, 620951, 620944, 657643, 657672, 620943, 55797, 52851]",True,2021-05-12 10:56:22.739000,NM,5,9,mp-5452,,Ce(CuSi)2,"{'functional': 'PBE', 'labels': ['Ce', 'Cu_pv', 'Si'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Cu': 2.0, 'Si': 2.0}",GGA,mp-5452,"['mp-5452', 'mp-1097881', 'mp-1156698', 'mp-1248439', 'mp-1440927', 'mp-1668622', 'mp-1798875', 'mp-1594230', 'mp-1595235']",0.01041,"{'Ce': 1.0, 'Cu': 2.0, 'Si': 2.0}",81.71700258012696,[],NM,False,139,0,"[-0.0, 0.0, 0.0, 0.0, 0.0]",0.0001273908693578,0.01041,0,0.01041,MP,data/source/MP/cleaned/cifs/MP-mp-5452.cif,True,,data/final/MP/graphs/Ce1Cu2Ge0.2Si1.8-MP-mp-5452-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ga1Mo1Ti2,1,0.0,1.0,True,Ga1Mo1Ti2,Ga1Mo1Ti2,0.0,Other,True,Ga25Mo25Ti50,Ga-Mo-Ti,3,Supercon,Ti2Mo1Ga1,MP-mp-1097177,Ti2Ga1Mo1,Ga-Mo-Ti,Ga25Mo25Ti50,I m m m,orthorhombic,9.647883997386488,9.93513433,9.93513432930192,data/final/MP/cifs/Ga1Mo1Ti2-MP-mp-1097177.cif,data/source/MP/raw/cifs/mp-1097177.cif,mp-1097177,0.0,,2018-05-26 02:01:43,0.6296869567685618,,,,3.44177159958333,-2.71096372,520.0,-17.22906406,-4.307266015,{'tags': []},-17.22906406,-4.307266015,3.108914756458333,[],False,[],True,2021-05-12 10:59:26.677000,FiM,4,3,mp-1097177,,Ti2GaMo,"{'functional': 'PBE', 'labels': ['Ti_pv', 'Ga_d', 'Mo_pv'], 'pot_type': 'paw'}","{'Ti': 2.0, 'Ga': 1.0, 'Mo': 1.0}",GGA,mp-1097177,"['mp-1097177', 'mp-1344939', 'mp-1879035']",2.7747781,"{'Ti': 2.0, 'Ga': 1.0, 'Mo': 1.0}",689.3265387289523,[],FiM,True,71,3,"[1.0, 1.0, 0.3, -0.8]",0.0040253463984085,2.7747781,4,2.7747781,MP,data/source/MP/cleaned/cifs/MP-mp-1097177.cif,False,,data/final/MP/graphs/Ga1Mo1Ti2-MP-mp-1097177.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,1.0,False
Fe1.76K0.8Se2,3,0.0771929824561403,1.0,True,Fe1.76K0.8Se2,Fe2K1Se2,31.15,Ferrite,True,Fe38.596K17.544Se43.86,Fe-K-Se,3,Supercon,K0.8Fe1.76Se2,MP-mp-1070735,K1Fe2Se2,Fe-K-Se,Fe40K20Se40,I 4/m m m,tetragonal,3.783558000712664,3.783558000712664,7.91886339,data/final/MP/cifs/Fe1.76K0.8Se2-MP-mp-1070735-synth_doped.cif,data/source/MP/raw/cifs/mp-1070735.cif,mp-1070735,0.0,,2018-03-22 03:52:22,4.804538531009527,,,{'GGA': {'task_id': 'mp-1761650'}},0.0327827750000011,3.42423866,520.0,-27.50456218,-5.500912436,{'tags': ['Potassium iron selenide (1/2/2)']},-27.50456218,-5.500912436,-0.6812646755374999,['bandstructure'],True,[186573],True,2021-05-12 10:58:14.654000,FM,5,8,mp-1070735,,K(FeSe)2,"{'functional': 'PBE', 'labels': ['K_sv', 'Fe_pv', 'Se'], 'pot_type': 'paw'}","{'K': 1.0, 'Fe': 2.0, 'Se': 2.0}",GGA,mp-1070735,"['mp-1070735', 'mp-1070765', 'mp-1070841', 'mp-1416829', 'mp-1761650', 'mp-1797161', 'mp-1585994', 'mp-1070830']",6.0503851,"{'K': 1.0, 'Fe': 2.0, 'Se': 2.0}",106.69540665041993,[],FM,True,139,1,"[0.0, 2.8, 2.8, 0.0, 0.0]",0.0567070813069176,6.0503851,2,6.0503851,MP,data/source/MP/cleaned/cifs/MP-mp-1070735.cif,True,,data/final/MP/graphs/Fe1.76K0.8Se2-MP-mp-1070735-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Al0.2Ca1Ga0.8Si1,3,0.1333333333333333,1.0,True,Al0.2Ca1Ga0.8Si1,Ca1Ga1Si1,3.24,Other,True,Al6.667Ca33.333Ga26.667Si33.333,Al-Ca-Ga-Si,4,Supercon,Ca1Al0.2Ga0.8Si1,MP-mp-1227042,Ca1Ga1Si1,Ca-Ga-Si,Ca33.333Ga33.333Si33.333,P -6 m 2,hexagonal,4.1465960017798045,4.14659559,4.415886,data/final/MP/cifs/Al0.2Ca1Ga0.8Si1-MP-mp-1227042-synth_doped.cif,data/source/MP/raw/cifs/mp-1227042.cif,mp-1227042,0.0,,2019-01-13 02:55:48.108000,3.4820817999200977,,,{'GGA': {'task_id': 'mp-1765640'}},0.0067707200000004,4.63147582,520.0,-11.79118587,-3.93039529,{'tags': []},-11.79118587,-3.93039529,-0.4203919825,['bandstructure'],True,[],True,2021-05-12 10:58:45.495000,NM,3,5,mp-1227042,,CaGaSi,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Ga_d', 'Si'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Ga': 1.0, 'Si': 1.0}",GGA,mp-1227042,"['mp-1227042', 'mp-1409280', 'mp-1765640', 'mp-1792240', 'mp-1609418']",0.0016061,"{'Ca': 1.0, 'Ga': 1.0, 'Si': 1.0}",65.75546847061287,[],NM,False,187,0,"[0, 0, 0]",2.442534495389978e-05,0.0016061,0,0.0016061,MP,data/source/MP/cleaned/cifs/MP-mp-1227042.cif,True,,data/final/MP/graphs/Al0.2Ca1Ga0.8Si1-MP-mp-1227042-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Nb3Sb1,1,0.0,2.0,False,Nb6Sb2,Nb6Sb2,1.1,Other,True,Nb75Sb25,Nb-Sb,2,Supercon,Nb3Sb1,MP-mp-2053,Nb6Sb2,Nb-Sb,Nb75Sb25,P m -3 n,cubic,5.311983,5.311983,5.311983,data/final/MP/cifs/Nb3Sb1-MP-mp-2053.cif,data/source/MP/raw/cifs/mp-2053.cif,mp-2053,0.0,,2011-05-13 19:35:55,8.87337760679475,10.17188/1195662,"@misc{osti_1195662,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Sb (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195662"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1696683'}},0.0,7.01392698,520.0,-71.08518378,-8.8856479725,"{'tags': ['Niobium antimony (3/1)', 'Niobium antimonide (3/1)']}",-71.08518378,-8.8856479725,-0.3254188824999993,"['xas', 'elasticity', 'bandstructure']",True,"[645347, 76572, 645349, 190178, 645357, 645352]",True,2021-05-12 10:56:14.760000,NM,8,8,mp-2053,,Nb3Sb,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Sb'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Sb': 1.0}",GGA,mp-2053,"['mp-910444', 'mp-926252', 'mp-926772', 'mp-2053', 'mp-1413395', 'mp-1696683', 'mp-1877686', 'mp-1592488']",0.00022775,"{'Nb': 6.0, 'Sb': 2.0}",149.88909224806147,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",3.0389135938335167e-06,0.00022775,0,0.0004555,MP,data/source/MP/cleaned/cifs/MP-mp-2053.cif,False,,data/final/MP/graphs/Nb3Sb1-MP-mp-2053.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
B12Lu0.074Zr0.926,2,0.0113846153846153,1.0,True,B12Lu0.074Zr0.926,B12Zr1,4.78,Other,True,B92.308Lu0.569Zr7.123,B-Lu-Zr,3,Supercon,Zr0.926Lu0.074B12,MP-mp-1084,Zr1B12,B-Zr,B92.308Zr7.692,F m -3 m,cubic,5.23882121,5.23882121,5.23882121,data/final/MP/cifs/B12Lu0.074Zr0.926-MP-mp-1084-synth_doped.cif,data/source/MP/raw/cifs/mp-1084.cif,mp-1084,0.0,,2011-05-13 01:55:40,3.608852766615364,10.17188/1187388,"@misc{osti_1187388,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrB12 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187388"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701270'}},0.0158721137179496,6.88737846,520.0,-91.45613101,-7.03508700076923,{'tags': ['Zirconium boride (1/12)']},-91.45613101,-7.03508700076923,-0.2119791638461532,"['xas', 'elasticity', 'bandstructure']",True,"[615764, 615752, 35363, 23861, 409634, 76257, 409635]",True,2021-05-12 10:56:10.715000,NM,13,8,mp-1084,,ZrB12,"{'functional': 'PBE', 'labels': ['Zr_sv', 'B'], 'pot_type': 'paw'}","{'Zr': 1.0, 'B': 12.0}",GGA,mp-1084,"['mp-922210', 'mp-1084', 'mp-907581', 'mp-921959', 'mp-1427051', 'mp-1701270', 'mp-1798000', 'mp-1593176']",1.76e-05,"{'Zr': 1.0, 'B': 12.0}",101.66833997602512,[],NM,False,225,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.7311190488750325e-07,1.76e-05,0,1.76e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1084.cif,True,,data/final/MP/graphs/B12Lu0.074Zr0.926-MP-mp-1084-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
B2C1Ni2Pr0.1Y0.9,2,0.0333333333333333,1.0,True,B2C1Ni2Pr0.1Y0.9,B2C1Ni2Y1,11.2,Other,True,B33.333C16.667Ni33.333Pr1.667Y15,B-C-Ni-Pr-Y,5,Supercon,Y0.9Pr0.1Ni2B2C1,MP-mp-6576,Y1Ni2B2C1,B-C-Ni-Y,B33.333C16.667Ni33.333Y16.667,I 4/m m m,tetragonal,3.548790000501972,3.548790000501972,5.76144136,data/final/MP/cifs/B2C1Ni2Pr0.1Y0.9-MP-mp-6576-synth_doped.cif,data/source/MP/raw/cifs/mp-6576.cif,mp-6576,0.0,,2011-05-13 05:21:43,6.099730998852292,10.17188/1281366,"@misc{osti_1281366,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281366"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688230'}},0.0,6.81083016,520.0,-43.677878,-7.279646333333333,{'tags': []},-43.677878,-7.279646333333333,-0.5109282141666659,"['xas', 'bandstructure']",True,"[75816, 89142, 83231, 79574, 41549]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6576,,YNi2B2C,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6576,"['mp-6576', 'mp-1007054', 'mp-1000583', 'mp-1439516', 'mp-1688230', 'mp-1794280', 'mp-1011792', 'mp-1597064']",0.0006603,"{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",65.3152437079014,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",1.010943177297096e-05,0.0006603,0,0.0006603,MP,data/source/MP/cleaned/cifs/MP-mp-6576.cif,True,,data/final/MP/graphs/B2C1Ni2Pr0.1Y0.9-MP-mp-6576-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Na0.3W1O3,2,1.290957005378089e-16,10.0,False,Na3W10O30,Na3W10O30,0.0,Oxide,True,Na6.977W23.256O69.76744186046513,Na-W-O,3,Supercon,Na0.3W1O3,MP-mp-36529,Na3W10O30,Na-W-O,Na6.977W23.256O69.76744186046513,P 1 2/m 1,monoclinic,5.504301,6.736154000000001,16.03167972,data/final/MP/cifs/Na0.3W1O3-MP-mp-36529.cif,data/source/MP/raw/cifs/mp-36529.cif,mp-36529,0.0,,2014-05-03 07:12:28,6.7349345872394695,10.17188/1207191,"@misc{osti_1207191,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Na3(WO3)10 (SG:10) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207191"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1682131'}},0.0045575276444189,2.73452149,520.0,-311.3877687,-7.241576016279069,{'tags': []},-311.3877687,-7.241576016279069,-2.1951185574338417,['xas'],False,[],True,2021-05-12 10:57:06.958000,FM,43,8,mp-36529,oxide,Na3(WO3)10,"{'functional': 'PBE', 'labels': ['Na_pv', 'W_pv', 'O'], 'pot_type': 'paw'}","{'Na': 3.0, 'W': 10.0, 'O': 30.0}",GGA+U,mp-36529,"['mp-691120', 'mp-937699', 'mp-945187', 'mp-945885', 'mp-1360344', 'mp-1682131', 'mp-1892310', 'mp-36529']",2.9615426,"{'Na': 3.0, 'W': 10.0, 'O': 30.0}",588.6159785245687,[],FM,True,10,6,"[0.0, 0.0, 0.0, 0.3, 0.4, 0.4, 0.3, 0.5, 0.4, 0.4, 0.4, 0.3, 0.3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0050313663034147,2.9615426,10,2.9615426,MP,data/source/MP/cleaned/cifs/MP-mp-36529.cif,False,,data/final/MP/graphs/Na0.3W1O3-MP-mp-36529.json,0,True,2/m,0,0,3,0,0,0,0,1,0,0,0,1.0,False
Ba2Cu3Dy0.2Pr0.8O7,3,0.0307692307692307,1.0,True,Ba2Cu3Dy0.2Pr0.8O7,Ba2Cu3Pr1O7,0.0,Cuprate,True,Ba15.385Cu23.077Dy1.538Pr6.154O53.84615384615385,Ba-Cu-Dy-Pr-O,5,Supercon,Dy0.2Pr0.8Ba2Cu3O7,MP-mp-20936,Ba2Pr1Cu3O7,Ba-Cu-Pr-O,Ba15.385Cu23.077Pr7.692O53.84615384615385,P m m m,orthorhombic,3.903923,3.95568,11.916432,data/final/MP/cifs/Ba2Cu3Dy0.2Pr0.8O7-MP-mp-20936-synth_doped.cif,data/source/MP/raw/cifs/mp-20936.cif,mp-20936,0.0,,2014-02-22 14:41:55,6.480717836004672,10.17188/1196129,"@misc{osti_1196129,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2PrCu3O7 (SG:47) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196129"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698257'}},0.0256000172756332,3.18514576,520.0,-78.62827906,-6.048329158461538,"{'tags': ['Dibarium praseodymium tricopper heptaoxide', 'Praseodymium dibarium dicopper copper(III) oxide', 'Praseodymium dibarium tricopper heptaoxide', 'Praseodymium dibarium copper(III) dicopper oxide']}",-78.62827906,-6.048329158461538,-2.145007016153845,"['xas', 'bandstructure']",True,"[41452, 94377, 81168, 173910, 89221]",True,2021-05-12 10:56:57.051000,NM,13,8,mp-20936,oxide,Ba2PrCu3O7,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pr_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Pr': 1.0, 'Cu': 3.0, 'O': 7.0}",GGA,mp-20936,"['mp-988090', 'mp-987725', 'mp-20936', 'mp-1417367', 'mp-1698257', 'mp-1833655', 'mp-988324', 'mp-1602318']",0.0007234,"{'Ba': 2.0, 'Pr': 1.0, 'Cu': 3.0, 'O': 7.0}",184.02152853403555,[],NM,False,47,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.931061793491212e-06,0.0007234,0,0.0007234,MP,data/source/MP/cleaned/cifs/MP-mp-20936.cif,True,,data/final/MP/graphs/Ba2Cu3Dy0.2Pr0.8O7-MP-mp-20936-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Cu1La1Sr1Tl0.7O5,3,0.0613026819923372,1.0,True,Cu1La1Sr1Tl0.7O5,Cu1La1Sr1Tl1O5,38.5,Cuprate,True,Cu11.494La11.494Sr11.494Tl8.046O57.4712643678161,Cu-La-Sr-Tl-O,5,Supercon,Tl0.7La1Sr1Cu1O5,MP-mp-1218170,Sr1La1Tl1Cu1O5,Cu-La-Sr-Tl-O,Cu11.111La11.111Sr11.111Tl11.111O55.55555555555556,P 4 m m,tetragonal,3.808314,3.808314,8.940218,data/final/MP/cifs/Cu1La1Sr1Tl0.7O5-MP-mp-1218170-synth_doped.cif,data/source/MP/raw/cifs/mp-1218170.cif,mp-1218170,0.0,,2019-01-12 19:23:00.047000,7.356801903811997,,,{'GGA': {'task_id': 'mp-1751231'}},0.0235770105555133,5.93274247,520.0,-55.01092809,-6.1123253433333335,{'tags': []},-55.01092809,-6.1123253433333335,-2.2909747433333343,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,9,5,mp-1218170,oxide,SrLaTlCuO5,"{'functional': 'PBE', 'labels': ['Sr_sv', 'La', 'Tl_d', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 1.0, 'La': 1.0, 'Tl': 1.0, 'Cu': 1.0, 'O': 5.0}",GGA,mp-1218170,"['mp-1218170', 'mp-1444406', 'mp-1751231', 'mp-1787322', 'mp-1618863']",0.0033628,"{'Sr': 1.0, 'La': 1.0, 'Tl': 1.0, 'Cu': 1.0, 'O': 5.0}",129.66226608171218,[],NM,False,99,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",2.593507040730561e-05,0.0033628,0,0.0033628,MP,data/source/MP/cleaned/cifs/MP-mp-1218170.cif,True,,data/final/MP/graphs/Cu1La1Sr1Tl0.7O5-MP-mp-1218170-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,1,0,0,0,1.0,False
Os0.56Re0.44,3,0.12,2.0,False,Os1.12Re0.88,Os1Re1,0.94,Other,True,Os56Re44,Os-Re,2,Supercon,Os0.56Re0.44,MP-mp-1219509,Re1Os1,Os-Re,Os50Re50,P -6 m 2,hexagonal,2.778262001431816,2.77826246,4.398023,data/final/MP/cifs/Os0.56Re0.44-MP-mp-1219509-synth_doped.cif,data/source/MP/raw/cifs/mp-1219509.cif,mp-1219509,0.0,,2019-01-12 20:30:11.325000,21.26213052600672,,,{'GGA': {'task_id': 'mp-1674748'}},0.0,7.9544658,520.0,-23.84358252,-11.92179126,{'tags': []},-23.84358252,-11.92179126,-0.08584454,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,2,5,mp-1219509,,ReOs,"{'functional': 'PBE', 'labels': ['Re_pv', 'Os_pv'], 'pot_type': 'paw'}","{'Re': 1.0, 'Os': 1.0}",GGA,mp-1219509,"['mp-1219509', 'mp-1421435', 'mp-1674748', 'mp-1866073', 'mp-1606835']",0.0005095,"{'Re': 1.0, 'Os': 1.0}",29.39913965108665,[],NM,False,187,0,"[0, 0]",1.733043912328121e-05,0.0005095,0,0.0005095,MP,data/source/MP/cleaned/cifs/MP-mp-1219509.cif,True,,data/final/MP/graphs/Os0.56Re0.44-MP-mp-1219509-synth_doped.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Re1Se2,1,0.0,4.0,False,Re4Se8,Re4Se8,0.0,Other,True,Re33.333Se66.667,Re-Se,2,Supercon,Re1Se2,MP-mp-541582,Re4Se8,Re-Se,Re33.333Se66.667,P -1,triclinic,6.66991,6.79280701,7.19998214,data/final/MP/cifs/Re1Se2-MP-mp-541582.cif,data/source/MP/raw/cifs/mp-541582.cif,mp-541582,1.2357999999999998,,2013-10-01 21:07:45,8.378113152665701,10.17188/1265164,"@misc{osti_1265164,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ReSe2 (SG:2) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1265164"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698800'}},0.0,3.76378683,520.0,-82.53978069,-6.8783150575,"{'tags': ['Rhenium(IV) selenide', 'Rhenium selenide (1/2)']}",-82.53978069,-6.8783150575,-0.7141983440625003,"['diel', 'xas', 'bandstructure']",True,"[650094, 26256, 81813, 66658]",True,2021-05-12 10:56:47.291000,NM,12,10,mp-541582,,ReSe2,"{'functional': 'PBE', 'labels': ['Re_pv', 'Se'], 'pot_type': 'paw'}","{'Re': 1.0, 'Se': 2.0}",GGA,mp-541582,"['mp-661187', 'mp-670791', 'mp-541582', 'mp-1095640', 'mp-1140764', 'mp-1475424', 'mp-1698800', 'mp-1930669', 'mp-1601597', 'mp-687834']",0.000120275,"{'Re': 4.0, 'Se': 8.0}",272.8233992352045,[],NM,False,2,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.763411794401248e-06,0.000120275,0,0.0004811,MP,data/source/MP/cleaned/cifs/MP-mp-541582.cif,False,,data/final/MP/graphs/Re1Se2-MP-mp-541582.json,0,True,-1,0,0,0,0,0,2,0,1,0,0,0,1.0,False
Ca0.2La0.8Rh1O3,3,0.0799999999999999,4.0,False,Ca0.8La3.2Rh4O12,La4Rh4O12,0.0,Oxide,True,Ca4La16Rh20O60,Ca-La-Rh-O,4,Supercon,La0.8Ca0.2Rh1O3,MP-mp-5163,La4Rh4O12,La-Rh-O,La20Rh20O60,P n m a,orthorhombic,5.52133,5.878627,7.945444,data/final/MP/cifs/Ca0.2La0.8Rh1O3-MP-mp-5163-synth_doped.cif,data/source/MP/raw/cifs/mp-5163.cif,mp-5163,0.5966000000000005,,2011-05-17 17:12:22,7.464202806132534,10.17188/1263117,"@misc{osti_1263117,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaRhO3 (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1263117"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1669959'}},0.0,6.96122652,520.0,-151.23299048,-7.561649524000001,{'tags': ['Lanthanum rhodium trioxide']},-151.23299048,-7.561649524000001,-2.545009926000001,"['xas', 'elasticity', 'bandstructure']",True,"[172347, 172353]",True,2021-05-12 10:56:20.740000,NM,20,8,mp-5163,oxide,LaRhO3,"{'functional': 'PBE', 'labels': ['La', 'Rh_pv', 'O'], 'pot_type': 'paw'}","{'La': 1.0, 'Rh': 1.0, 'O': 3.0}",GGA,mp-5163,"['mp-678721', 'mp-663626', 'mp-5163', 'mp-1418173', 'mp-1669959', 'mp-1864388', 'mp-1603172', 'mp-699951']",0.0001943,"{'La': 4.0, 'Rh': 4.0, 'O': 12.0}",257.8919470133035,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.0136652539984423e-06,0.0001943,0,0.0007772,MP,data/source/MP/cleaned/cifs/MP-mp-5163.cif,True,,data/final/MP/graphs/Ca0.2La0.8Rh1O3-MP-mp-5163-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Cu0.75Ir2S4Zn0.25,3,0.0714285714285714,2.0,False,Cu1.5Ir4S8Zn0.5,Cu2Ir4S8,3.3,Other,True,Cu10.714Ir28.571S57.143Zn3.571,Cu-Ir-S-Zn,4,Supercon,Cu0.75Zn0.25Ir2S4,MP-mp-15065,Cu2Ir4S8,Cu-Ir-S,Cu14.286Ir28.571S57.143,F d -3 m,cubic,7.0146421,7.014642099999999,7.0146421,data/final/MP/cifs/Cu0.75Ir2S4Zn0.25-MP-mp-15065-synth_doped.cif,data/source/MP/raw/cifs/mp-15065.cif,mp-15065,0.0,,2011-06-03 14:22:46,7.841171261871164,10.17188/1191009,"@misc{osti_1191009,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Cu(IrS2)2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191009"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703593'}},0.0,5.93564872,520.0,-81.88317445,-5.848798175,"{'tags': ['Cuproiridsite', 'Copper tetrathiodiiridate(III)']}",-81.88317445,-5.848798175,-0.6616743210714284,"['xas', 'bandstructure']",True,[75531],True,2021-05-12 10:56:53.126000,NM,14,11,mp-15065,,Cu(IrS2)2,"{'functional': 'PBE', 'labels': ['Cu_pv', 'Ir', 'S'], 'pot_type': 'paw'}","{'Cu': 1.0, 'Ir': 2.0, 'S': 4.0}",GGA,mp-15065,"['mp-923885', 'mp-924531', 'mp-908944', 'mp-22362', 'mp-15065', 'mp-1104143', 'mp-1104190', 'mp-1419385', 'mp-1703593', 'mp-1882020', 'mp-1598621']",0.00084405,"{'Cu': 2.0, 'Ir': 4.0, 'S': 8.0}",244.06278087318373,[],NM,False,227,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.916662974831648e-06,0.00084405,0,0.0016881,MP,data/source/MP/cleaned/cifs/MP-mp-15065.cif,True,,data/final/MP/graphs/Cu0.75Ir2S4Zn0.25-MP-mp-15065-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ga2Zr3,1,0.0,2.0,False,Ga4Zr6,Ga4Zr6,0.0,Other,True,Ga40Zr60,Ga-Zr,2,Supercon,Ga2Zr3,MP-mp-30684,Zr6Ga4,Ga-Zr,Ga40Zr60,P 4/m b m,tetragonal,3.706167,7.377247,7.377247,data/final/MP/cifs/Ga2Zr3-MP-mp-30684.cif,data/source/MP/raw/cifs/mp-30684.cif,mp-30684,0.0,,2014-02-24 11:43:25,6.802046202724205,10.17188/1205053,"@misc{osti_1205053,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Zr3Ga2 (SG:127) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1205053"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703171'}},0.0,3.91573461,520.0,-68.86749759,-6.886749759,{'tags': ['Gallium zirconium (2/3)']},-68.86749759,-6.886749759,-0.5468909720000006,"['xas', 'elasticity', 'bandstructure']",True,"[635692, 104042]",True,2021-05-12 10:56:18.721000,NM,10,8,mp-30684,,Zr3Ga2,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Ga_d'], 'pot_type': 'paw'}","{'Zr': 3.0, 'Ga': 2.0}",GGA,mp-30684,"['mp-941650', 'mp-30684', 'mp-934926', 'mp-941344', 'mp-1429637', 'mp-1703171', 'mp-1835874', 'mp-1601478']",0.00402765,"{'Zr': 6.0, 'Ga': 4.0}",201.70359261626828,[],NM,False,127,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.993632386769052e-05,0.00402765,0,0.0080553,MP,data/source/MP/cleaned/cifs/MP-mp-30684.cif,False,,data/final/MP/graphs/Ga2Zr3-MP-mp-30684.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
B4Ce1Ru4,1,0.0,4.0,False,B16Ce4Ru16,B16Ce4Ru16,0.0,Heavy_fermion,True,B44.444Ce11.111Ru44.444,B-Ce-Ru,3,Supercon,Ce1Ru4B4,MP-mp-1201565,Ce4B16Ru16,B-Ce-Ru,B44.444Ce11.111Ru44.444,I 41/a c d,tetragonal,7.51591199841866,7.51591199841866,9.26669735,data/final/MP/cifs/B4Ce1Ru4-MP-mp-1201565.cif,data/source/MP/raw/cifs/mp-1201565.cif,mp-1201565,0.0,,2019-01-12 05:45:40.819000,9.102134669971608,,,{'GGA': {'task_id': 'mp-1751198'}},0.0,8.19891807,520.0,-298.09489961,-8.280413878055557,{'tags': ['Cerium ruthenium boride (1/4/4)']},-298.09489961,-8.280413878055557,-0.5306122271296295,['bandstructure'],True,"[421307, 612855]",True,2021-05-12 10:58:37.524000,NM,36,5,mp-1201565,,Ce(BRu)4,"{'functional': 'PBE', 'labels': ['Ce', 'B', 'Ru_pv'], 'pot_type': 'paw'}","{'Ce': 1.0, 'B': 4.0, 'Ru': 4.0}",GGA,mp-1201565,"['mp-1201565', 'mp-1392193', 'mp-1751198', 'mp-1822071', 'mp-1623608']",4.31e-05,"{'Ce': 4.0, 'B': 16.0, 'Ru': 16.0}",428.8221224922254,[],NM,False,142,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.020314973445094e-07,4.31e-05,0,0.0001724,MP,data/source/MP/cleaned/cifs/MP-mp-1201565.cif,False,,data/final/MP/graphs/B4Ce1Ru4-MP-mp-1201565.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Dy0.2Pd2Sn1Y0.8,3,0.0999999999999999,1.0,True,Dy0.2Pd2Sn1Y0.8,Pd2Sn1Y1,1.4,Other,True,Dy5Pd50Sn25Y20,Dy-Pd-Sn-Y,4,Supercon,Pd2Y0.8Dy0.2Sn1,MP-mp-5538,Y1Sn1Pd2,Pd-Sn-Y,Pd50Sn25Y25,F m -3 m,cubic,4.81595014,4.81595014,4.81595014,data/final/MP/cifs/Dy0.2Pd2Sn1Y0.8-MP-mp-5538-synth_doped.cif,data/source/MP/raw/cifs/mp-5538.cif,mp-5538,0.0,,2011-05-13 01:04:13,8.839720826473608,10.17188/1267618,"@misc{osti_1267618,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YSnPd2 (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1267618"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687523'}},0.0,6.33853657,520.0,-24.32859047,-6.0821476175,"{'tags': ['Palladium yttrium stannide (2/1/1)', 'Palladium tin yttrium (2/1/1)']}",-24.32859047,-6.0821476175,-0.873195970416667,"['xas', 'elasticity', 'bandstructure']",True,"[105699, 648949, 105700, 424011, 648950]",True,2021-05-12 10:56:22.739000,NM,4,12,mp-5538,,YSnPd2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Sn_d', 'Pd'], 'pot_type': 'paw'}","{'Y': 1.0, 'Sn': 1.0, 'Pd': 2.0}",GGA,mp-5538,"['mp-1008093', 'mp-1001657', 'mp-5538', 'mp-1065654', 'mp-1065644', 'mp-1065683', 'mp-1439031', 'mp-1687523', 'mp-1801498', 'mp-1012418', 'mp-1593849', 'mp-1065696']",0.0001592,"{'Y': 1.0, 'Sn': 1.0, 'Pd': 2.0}",78.98251295612837,[],NM,False,225,0,"[0, 0, 0, 0]",2.015636044505563e-06,0.0001592,0,0.0001592,MP,data/source/MP/cleaned/cifs/MP-mp-5538.cif,True,,data/final/MP/graphs/Dy0.2Pd2Sn1Y0.8-MP-mp-5538-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Mo0.4Re0.6,1,0.0,30.0,False,Mo12Re18,Mo12Re18,6.245,Other,True,Mo40Re60,Mo-Re,2,Supercon,Mo0.4Re0.6,MP-mp-1219297,Re18Mo12,Mo-Re,Mo40Re60,C m m 2,orthorhombic,5.05761,9.619006540000004,9.61900654,data/final/MP/cifs/Mo0.4Re0.6-MP-mp-1219297.cif,data/source/MP/raw/cifs/mp-1219297.cif,mp-1219297,0.0,,2019-01-12 20:19:30.273000,15.97886435862475,,,,0.0769730124999998,7.77592846,520.0,-352.14077574,-11.738025858,{'tags': []},-352.14077574,-11.738025858,0.0669476650000016,[],False,[],True,2021-05-12 11:00:44.908000,NM,30,3,mp-1219297,,Re3Mo2,"{'functional': 'PBE', 'labels': ['Re_pv', 'Mo_pv'], 'pot_type': 'paw'}","{'Re': 3.0, 'Mo': 2.0}",GGA,mp-1219297,"['mp-1219297', 'mp-1347178', 'mp-1818786']",3.116666666666667e-05,"{'Re': 18.0, 'Mo': 12.0}",467.9567466318837,[],NM,False,35,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.996095821802583e-07,3.116666666666667e-05,0,0.000187,MP,data/source/MP/cleaned/cifs/MP-mp-1219297.cif,False,,data/final/MP/graphs/Mo0.4Re0.6-MP-mp-1219297.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
B2C1Cu0.015Ni1.985Y1,2,0.0049999999999999,1.0,True,B2C1Cu0.015Ni1.985Y1,B2C1Ni2Y1,14.3,Other,True,B33.333C16.667Cu0.25Ni33.083Y16.667,B-C-Cu-Ni-Y,5,Supercon,Y1Ni1.985Cu0.015B2C1,MP-mp-6576,Y1Ni2B2C1,B-C-Ni-Y,B33.333C16.667Ni33.333Y16.667,I 4/m m m,tetragonal,3.548790000501972,3.548790000501972,5.76144136,data/final/MP/cifs/B2C1Cu0.015Ni1.985Y1-MP-mp-6576-synth_doped.cif,data/source/MP/raw/cifs/mp-6576.cif,mp-6576,0.0,,2011-05-13 05:21:43,6.099730998852292,10.17188/1281366,"@misc{osti_1281366,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281366"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688230'}},0.0,6.81083016,520.0,-43.677878,-7.279646333333333,{'tags': []},-43.677878,-7.279646333333333,-0.5109282141666659,"['xas', 'bandstructure']",True,"[75816, 89142, 83231, 79574, 41549]",True,2021-05-12 10:57:32.679000,NM,6,8,mp-6576,,YNi2B2C,"{'functional': 'PBE', 'labels': ['Y_sv', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6576,"['mp-6576', 'mp-1007054', 'mp-1000583', 'mp-1439516', 'mp-1688230', 'mp-1794280', 'mp-1011792', 'mp-1597064']",0.0006603,"{'Y': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",65.3152437079014,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0]",1.010943177297096e-05,0.0006603,0,0.0006603,MP,data/source/MP/cleaned/cifs/MP-mp-6576.cif,True,,data/final/MP/graphs/B2C1Cu0.015Ni1.985Y1-MP-mp-6576-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B4Er0.25Ho0.75Rh4,3,0.0555555555555555,2.0,False,B8Er0.5Ho1.5Rh8,B8Ho2Rh8,6.44,Other,True,B44.444Er2.778Ho8.333Rh44.444,B-Er-Ho-Rh,4,Supercon,Er0.25Ho0.75Rh4B4,MP-mp-1189784,Ho2B8Rh8,B-Ho-Rh,B44.444Ho11.111Rh44.444,P 42/n m c,tetragonal,5.334437,5.334437,7.442515,data/final/MP/cifs/B4Er0.25Ho0.75Rh4-MP-mp-1189784-synth_doped.cif,data/source/MP/raw/cifs/mp-1189784.cif,mp-1189784,0.0,,2019-01-11 20:27:24.618000,9.719214946416653,,,{'GGA': {'task_id': 'mp-1671459'}},0.0130335600000011,6.87149626,520.0,-131.93964083,-7.329980046111111,{'tags': ['Holmium rhodium boride (1/4/4)']},-131.93964083,-7.329980046111111,-0.5791792201851851,['bandstructure'],True,[601533],True,2021-05-12 10:58:33.577000,NM,18,5,mp-1189784,,Ho(BRh)4,"{'functional': 'PBE', 'labels': ['Ho_3', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Ho': 1.0, 'B': 4.0, 'Rh': 4.0}",GGA,mp-1189784,"['mp-1189784', 'mp-1430146', 'mp-1671459', 'mp-1786743', 'mp-1604112']",0.00025395,"{'Ho': 2.0, 'B': 8.0, 'Rh': 8.0}",211.7858301043884,[],NM,False,137,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.39817744062319e-06,0.00025395,0,0.0005079,MP,data/source/MP/cleaned/cifs/MP-mp-1189784.cif,True,,data/final/MP/graphs/B4Er0.25Ho0.75Rh4-MP-mp-1189784-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As2Ir2Sr1,3,0.1,1.5,False,As3Ir3Sr1.5,As3Ir3Sr2,2.8,Other,True,As40Ir40Sr20,As-Ir-Sr,3,Supercon,Sr1Ir2As2,MP-mp-1206100,Sr2As3Ir3,As-Ir-Sr,As37.5Ir37.5Sr25,P 4/m m m,tetragonal,5.924371,5.924371,20.625305,data/final/MP/cifs/As2Ir2Sr1-MP-mp-1206100-synth_doped.cif,data/source/MP/raw/cifs/mp-1206100.cif,mp-1206100,0.0,,2019-01-12 09:28:46.326000,2.240297822455622,,,,2.371684334609375,-2.0388711,520.0,-29.93402797,-3.74175349625,"{'tags': ['SrIr2As2', 'CaBe2Ge2']}",-29.93402797,-3.74175349625,1.7422006764583329,[],False,[],True,2021-05-12 11:00:17.126000,FM,8,3,mp-1206100,,Sr2(AsIr)3,"{'functional': 'PBE', 'labels': ['Sr_sv', 'As', 'Ir'], 'pot_type': 'paw'}","{'Sr': 2.0, 'As': 3.0, 'Ir': 3.0}",GGA,mp-1206100,"['mp-1206100', 'mp-1362284', 'mp-1937747']",2.0,"{'Sr': 2.0, 'As': 3.0, 'Ir': 3.0}",723.910497196228,[],FM,True,123,2,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.5, 0.5, 0.9]",0.0027627724805016,2.0,3,2.0,MP,data/source/MP/cleaned/cifs/MP-mp-1206100.cif,True,,data/final/MP/graphs/As2Ir2Sr1-MP-mp-1206100-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As1Ca1Co0.1F1Fe0.9,2,0.0499999999999999,2.0,False,As2Ca2Co0.2F2Fe1.8,As2Ca2F2Fe2,22.93333333,Ferrite,True,As25Ca25Co2.5F25Fe22.5,As-Ca-Co-F-Fe,5,Supercon,Ca1Fe0.9Co0.1As1F1,MP-mp-1079859,Ca2Fe2As2F2,As-Ca-F-Fe,As25Ca25F25Fe25,P m m n,orthorhombic,3.933336,3.981276,9.018918,data/final/MP/cifs/As1Ca1Co0.1F1Fe0.9-MP-mp-1079859-synth_doped.cif,data/source/MP/raw/cifs/mp-1079859.cif,mp-1079859,0.0,,2018-04-16 14:43:21,4.464120586611354,,,{'GGA+U': {'task_id': 'mp-1695365'}},0.2859614887499973,4.27317878,520.0,-41.71531675,-5.21441459375,"{'tags': ['Calcium iron arsenide fluoride', 'High pressure experimental phase']}",-41.71531675,-5.21441459375,-1.632363168125,['bandstructure'],True,[186505],True,2021-05-12 10:58:16.596000,FM,8,6,mp-1079859,,CaFeAsF,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Fe_pv', 'As', 'F'], 'pot_type': 'paw'}","{'Ca': 1.0, 'Fe': 1.0, 'As': 1.0, 'F': 1.0}",GGA+U,mp-1079859,"['mp-1079859', 'mp-1475687', 'mp-1695365', 'mp-1785040', 'mp-1938652', 'mp-1594699']",3.7150606,"{'Ca': 2.0, 'Fe': 2.0, 'As': 2.0, 'F': 2.0}",141.2335160836522,[],FM,True,59,1,"[0.0, 0.0, 3.6, 3.6, 0.0, 0.0, 0.0, 0.0]",0.0526087674231601,3.7150606,2,7.4301212,MP,data/source/MP/cleaned/cifs/MP-mp-1079859.cif,True,,data/final/MP/graphs/As1Ca1Co0.1F1Fe0.9-MP-mp-1079859-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
As2Ba0.779Fe2Na0.221,3,0.1116,2.0,False,As4Ba1.558Fe4Na0.442,As4Ba1Fe4Na1,8.0,Ferrite,True,As40Ba15.58Fe40Na4.42,As-Ba-Fe-Na,4,Supercon,Ba0.779Na0.221Fe2As2,MP-mp-1227868,Ba1Na1Fe4As4,As-Ba-Fe-Na,As40Ba10Fe40Na10,C m m m,orthorhombic,5.458732000131759,5.462821,6.96934908,data/final/MP/cifs/As2Ba0.779Fe2Na0.221-MP-mp-1227868-synth_doped.cif,data/source/MP/raw/cifs/mp-1227868.cif,mp-1227868,0.0,,2019-01-13 03:39:01.428000,5.934244973483095,,,{'GGA': {'task_id': 'mp-1731957'}},0.0195872770000011,4.30353274,520.0,-59.62394279,-5.962394279,{'tags': []},-59.62394279,-5.962394279,-0.3865939246551718,[],False,[],True,2021-05-12 11:00:59.151000,FM,10,4,mp-1227868,,BaNa(FeAs)4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Na_pv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Na': 1.0, 'Fe': 4.0, 'As': 4.0}",GGA,mp-1227868,"['mp-1227868', 'mp-1396889', 'mp-1731957', 'mp-1827521']",0.9949323,"{'Ba': 1.0, 'Na': 1.0, 'Fe': 4.0, 'As': 4.0}",191.22642477974767,[],FM,True,65,1,"[0.0, 0.0, 0.3, 0.3, 0.3, 0.3, 0.0, 0.0, 0.0, 0.0]",0.0052029017493055,0.9949323,4,0.9949323,MP,data/source/MP/cleaned/cifs/MP-mp-1227868.cif,True,,data/final/MP/graphs/As2Ba0.779Fe2Na0.221-MP-mp-1227868-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Ir2Si2Y1,1,0.0,1.0,True,Ir2Si2Y1,Ir2Si2Y1,1.949166667,Other,True,Ir40Si40Y20,Ir-Si-Y,3,Supercon,Y1Ir2Si2,MP-mp-4653,Y1Si2Ir2,Ir-Si-Y,Ir40Si40Y20,I 4/m m m,tetragonal,4.085918002661642,4.085918002661642,5.77143114,data/final/MP/cifs/Ir2Si2Y1-MP-mp-4653.cif,data/source/MP/raw/cifs/mp-4653.cif,mp-4653,0.0,,2011-05-12 22:25:58,10.541550778740104,10.17188/1208314,"@misc{osti_1208314,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Y(SiIr)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208314"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1670742'}},0.0,8.17283522,520.0,-40.46137483,-8.092274966,"{'tags': ['Iridium yttrium silicide (2/1/2)', 'Yttrium iridium silicide (1/2/2) - LT', 'Iridium yttrium silicide (2/1/2) - LT', 'Yttrium iridium silicide (1/2/2)']}",-40.46137483,-8.092274966,-1.0934829673333326,"['xas', 'elasticity', 'bandstructure']",True,"[188326, 44667, 600299, 181768, 641030]",True,2021-05-12 10:56:20.740000,NM,5,14,mp-4653,,Y(SiIr)2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Si', 'Ir'], 'pot_type': 'paw'}","{'Y': 1.0, 'Si': 2.0, 'Ir': 2.0}",GGA,mp-4653,"['mp-1007261', 'mp-1000804', 'mp-4653', 'mp-1068568', 'mp-1068492', 'mp-1068526', 'mp-1144711', 'mp-1260946', 'mp-1439852', 'mp-1670742', 'mp-1799512', 'mp-1011996', 'mp-1590439', 'mp-1068557']",0.001507,"{'Y': 1.0, 'Si': 2.0, 'Ir': 2.0}",83.41025633409326,[],NM,False,139,0,"[0, 0, 0, 0, 0]",1.8067322488062257e-05,0.001507,0,0.001507,MP,data/source/MP/cleaned/cifs/MP-mp-4653.cif,False,,data/final/MP/graphs/Ir2Si2Y1-MP-mp-4653.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B0.04C0.96Cu1Sr2O5,2,0.0088888888888888,4.0,False,B0.16C3.84Cu4Sr8O20,C4Cu4Sr8O20,7.0,Cuprate,True,B0.444C10.667Cu11.111Sr22.222O55.55555555555556,B-C-Cu-Sr-O,5,Supercon,Sr2Cu1C0.96B0.04O5,MP-mp-1198030,Sr8Cu4C4O20,C-Cu-Sr-O,C11.111Cu11.111Sr22.222O55.55555555555556,I -4,tetragonal,7.877744002100394,7.877744002100395,9.46755054,data/final/MP/cifs/B0.04C0.96Cu1Sr2O5-MP-mp-1198030-synth_doped.cif,data/source/MP/raw/cifs/mp-1198030.cif,mp-1198030,0.0,,2019-01-12 02:53:33.853000,4.624821022244182,,,{'GGA': {'task_id': 'mp-1742814'}},0.0386187874999981,3.47889523,520.0,-237.90163358,-6.608378710555556,"{'tags': ['Distrontium copper dioxide carbonate - LT', 'Distrontium copper dioxide carbonate']}",-237.90163358,-6.608378710555556,-2.385069899259259,['bandstructure'],True,"[78650, 83095]",True,2021-05-12 10:58:37.524000,NM,36,6,mp-1198030,oxide,Sr2CuCO5,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'C', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Cu': 1.0, 'C': 1.0, 'O': 5.0}",GGA,mp-1198030,"['mp-1198030', 'mp-1200477', 'mp-1399692', 'mp-1742814', 'mp-1929945', 'mp-1655225']",0.000743875,"{'Sr': 8.0, 'Cu': 4.0, 'C': 4.0, 'O': 20.0}",475.08507610840775,[],NM,False,82,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.263088759540475e-06,0.000743875,0,0.0029755,MP,data/source/MP/cleaned/cifs/MP-mp-1198030.cif,True,,data/final/MP/graphs/B0.04C0.96Cu1Sr2O5-MP-mp-1198030-synth_doped.json,0,True,-4,0,0,0,0,2,0,0,0,0,1,0,1.0,False
As1Fe1Li1,1,0.0,2.0,False,As2Fe2Li2,As2Fe2Li2,16.475,Ferrite,True,As33.333Fe33.333Li33.333,As-Fe-Li,3,Supercon,Li1Fe1As1,MP-mp-21471,Li2Fe2As2,As-Fe-Li,As33.333Fe33.333Li33.333,P 4/n m m,tetragonal,3.790629,3.790629,6.107451,data/final/MP/cifs/As1Fe1Li1-MP-mp-21471.cif,data/source/MP/raw/cifs/mp-21471.cif,mp-21471,0.0,,2013-10-29 11:57:13,5.21140049061562,10.17188/1196927,"@misc{osti_1196927,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LiFeAs (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196927"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686578'}},0.0,4.20304559,520.0,-32.72438031,-5.454063385,"{'tags': ['Lithium iron arsenide', 'Iron lithium arsenide']}",-32.72438031,-5.454063385,-0.4413801444444445,"['xas', 'elasticity']",False,"[290700, 168206, 610480, 169175, 162250, 162056, 166457, 163870]",True,2021-05-12 10:56:16.728000,FM,6,18,mp-21471,,LiFeAs,"{'functional': 'PBE', 'labels': ['Li_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Li': 1.0, 'Fe': 1.0, 'As': 1.0}",GGA,mp-21471,"['mp-917215', 'mp-674647', 'mp-919059', 'mp-920059', 'mp-1071407', 'mp-21471', 'mp-1071451', 'mp-38403', 'mp-33848', 'mp-37001', 'mp-34336', 'mp-36599', 'mp-36822', 'mp-36276', 'mp-1439936', 'mp-1686578', 'mp-1784376', 'mp-1071444']",0.2682074,"{'Li': 2.0, 'Fe': 2.0, 'As': 2.0}",87.75715855248485,[],FM,True,129,1,"[-0.0, -0.0, 0.3, 0.3, -0.0, -0.0]",0.0061124905232567,0.2682074,2,0.5364148,MP,data/source/MP/cleaned/cifs/MP-mp-21471.cif,False,,data/final/MP/graphs/As1Fe1Li1-MP-mp-21471.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As1Co0.2Fe0.8Sm1O1,3,0.0999999999999999,2.0,False,As2Co0.4Fe1.6Sm2O2,As2Fe2Sm2O2,1.895,Ferrite,True,As25Co5Fe20Sm25O25,As-Co-Fe-Sm-O,5,Supercon,Sm1Fe0.8Co0.2As1O1,MP-mp-20349,Sm2Fe2As2O2,As-Fe-Sm-O,As25Fe25Sm25O25,P 4/n m m,tetragonal,4.026492,4.026492,9.046755,data/final/MP/cifs/As1Co0.2Fe0.8Sm1O1-MP-mp-20349-synth_doped.cif,data/source/MP/raw/cifs/mp-20349.cif,mp-20349,0.0,,2014-02-19 11:24:42,6.727802583283198,,,{'GGA+U': {'task_id': 'mp-1695938'}},0.3015723809374986,3.77685593,520.0,-52.73407138,-6.5917589225,{'tags': ['Samarium iron arsenic oxide (1/1/1/1)']},-52.73407138,-6.5917589225,-1.6285904237499995,"['xas', 'elasticity', 'bandstructure']",True,"[236652, 236653, 422002, 163457, 163458]",True,2021-05-12 10:56:16.728000,FM,8,10,mp-20349,oxide,SmFeAsO,"{'functional': 'PBE', 'labels': ['Sm_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Sm': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-20349,"['mp-24944', 'mp-1078897', 'mp-1079866', 'mp-1173321', 'mp-20349', 'mp-1425472', 'mp-1695938', 'mp-1772503', 'mp-1789694', 'mp-1588381']",3.75729895,"{'Sm': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",146.67176231613362,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, -0.0, -0.0, -0.0, -0.0]",0.0512341147425717,3.75729895,2,7.5145979,MP,data/source/MP/cleaned/cifs/MP-mp-20349.cif,True,,data/final/MP/graphs/As1Co0.2Fe0.8Sm1O1-MP-mp-20349-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Fe1Se0.42Te0.58,3,0.0799999999999999,2.0,False,Fe2Se0.84Te1.16,Fe2Se1Te1,14.8,Ferrite,True,Fe50Se21Te29,Fe-Se-Te,3,Supercon,Fe1Se0.42Te0.58,MP-mp-1225136,Fe2Te1Se1,Fe-Se-Te,Fe50Se25Te25,P 4 m m,tetragonal,3.755398,3.755398,5.937717,data/final/MP/cifs/Fe1Se0.42Te0.58-MP-mp-1225136-synth_doped.cif,data/source/MP/raw/cifs/mp-1225136.cif,mp-1225136,0.0,,2019-01-13 01:17:25.998000,6.310824077785493,,,{'GGA': {'task_id': 'mp-1764167'}},0.0802741556250001,4.86336573,520.0,-24.0729629,-6.018240725,{'tags': []},-24.0729629,-6.018240725,-0.3469333980859375,['bandstructure'],True,[],True,2021-05-12 10:58:45.495000,FM,4,5,mp-1225136,,Fe2TeSe,"{'functional': 'PBE', 'labels': ['Fe_pv', 'Te', 'Se'], 'pot_type': 'paw'}","{'Fe': 2.0, 'Te': 1.0, 'Se': 1.0}",GGA,mp-1225136,"['mp-1225136', 'mp-1425562', 'mp-1764167', 'mp-1784460', 'mp-1615275']",0.1061773,"{'Fe': 2.0, 'Te': 1.0, 'Se': 1.0}",83.73970680084179,[],FM,True,99,1,"[0.1, 0.1, -0.0, -0.0]",0.0012679444920021,0.1061773,2,0.1061773,MP,data/source/MP/cleaned/cifs/MP-mp-1225136.cif,True,,data/final/MP/graphs/Fe1Se0.42Te0.58-MP-mp-1225136-synth_doped.json,0,True,4mm,0,0,0,0,5,0,0,1,0,0,0,1.0,False
Ba2Cu3La0.2Pr0.8O7,3,0.0307692307692307,1.0,True,Ba2Cu3La0.2Pr0.8O7,Ba2Cu3Pr1O7,0.0,Cuprate,True,Ba15.385Cu23.077La1.538Pr6.154O53.84615384615385,Ba-Cu-La-Pr-O,5,Supercon,La0.2Pr0.8Ba2Cu3O7,MP-mp-20936,Ba2Pr1Cu3O7,Ba-Cu-Pr-O,Ba15.385Cu23.077Pr7.692O53.84615384615385,P m m m,orthorhombic,3.903923,3.95568,11.916432,data/final/MP/cifs/Ba2Cu3La0.2Pr0.8O7-MP-mp-20936-synth_doped.cif,data/source/MP/raw/cifs/mp-20936.cif,mp-20936,0.0,,2014-02-22 14:41:55,6.480717836004672,10.17188/1196129,"@misc{osti_1196129,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2PrCu3O7 (SG:47) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196129"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698257'}},0.0256000172756332,3.18514576,520.0,-78.62827906,-6.048329158461538,"{'tags': ['Dibarium praseodymium tricopper heptaoxide', 'Praseodymium dibarium dicopper copper(III) oxide', 'Praseodymium dibarium tricopper heptaoxide', 'Praseodymium dibarium copper(III) dicopper oxide']}",-78.62827906,-6.048329158461538,-2.145007016153845,"['xas', 'bandstructure']",True,"[41452, 94377, 81168, 173910, 89221]",True,2021-05-12 10:56:57.051000,NM,13,8,mp-20936,oxide,Ba2PrCu3O7,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Pr_3', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Pr': 1.0, 'Cu': 3.0, 'O': 7.0}",GGA,mp-20936,"['mp-988090', 'mp-987725', 'mp-20936', 'mp-1417367', 'mp-1698257', 'mp-1833655', 'mp-988324', 'mp-1602318']",0.0007234,"{'Ba': 2.0, 'Pr': 1.0, 'Cu': 3.0, 'O': 7.0}",184.02152853403555,[],NM,False,47,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.931061793491212e-06,0.0007234,0,0.0007234,MP,data/source/MP/cleaned/cifs/MP-mp-20936.cif,True,,data/final/MP/graphs/Ba2Cu3La0.2Pr0.8O7-MP-mp-20936-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Al0.97Ge0.03Nb3,2,0.015,2.0,False,Al1.94Ge0.06Nb6,Al2Nb6,19.6,Other,True,Al24.25Ge0.75Nb75,Al-Ge-Nb,3,Supercon,Nb3Al0.97Ge0.03,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al0.97Ge0.03Nb3-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al0.97Ge0.03Nb3-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Au0.98Nb3Rh0.02,2,0.01,1.0,True,Au0.98Nb3Rh0.02,Au1Nb3,11.4,Other,True,Au24.5Nb75Rh0.5,Au-Nb-Rh,3,Supercon,Nb3Rh0.02Au0.98,MP-mp-1220645,Nb3Au1,Au-Nb,Au25Nb75,C m m m,orthorhombic,2.8256924000000003,2.8256924,9.314665,data/final/MP/cifs/Au0.98Nb3Rh0.02-MP-mp-1220645-synth_doped.cif,data/source/MP/raw/cifs/mp-1220645.cif,mp-1220645,0.0,,2019-01-12 21:27:35.806000,10.906576218653324,,,{'GGA': {'task_id': 'mp-1767853'}},0.0207435650000036,5.24602198,520.0,-33.86354254,-8.465885635,{'tags': []},-33.86354254,-8.465885635,-0.07143647,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,4,5,mp-1220645,,Nb3Au,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Au'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Au': 1.0}",GGA,mp-1220645,"['mp-1220645', 'mp-1416545', 'mp-1767853', 'mp-1799245', 'mp-1612990']",0.0051374,"{'Nb': 3.0, 'Au': 1.0}",72.42370908909766,[],NM,False,65,0,"[0, 0, 0, 0]",7.093533408624279e-05,0.0051374,0,0.0051374,MP,data/source/MP/cleaned/cifs/MP-mp-1220645.cif,True,,data/final/MP/graphs/Au0.98Nb3Rh0.02-MP-mp-1220645-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Al0.76Ge0.24Nb3,3,0.13,2.0,False,Al1.52Ge0.48Nb6,Al1Ge1Nb6,20.425,Other,True,Al19Ge6Nb75,Al-Ge-Nb,3,Supercon,Nb3Al0.76Ge0.24,MP-mp-1220344,Nb6Al1Ge1,Al-Ge-Nb,Al12.5Ge12.5Nb75,P m -3,cubic,5.193789,5.193789,5.193789,data/final/MP/cifs/Al0.76Ge0.24Nb3-MP-mp-1220344-synth_doped.cif,data/source/MP/raw/cifs/mp-1220344.cif,mp-1220344,0.0,,2019-01-12 21:12:22.670000,7.787554520755366,,,{'GGA': {'task_id': 'mp-1754189'}},0.0456705447083347,5.7081774,520.0,-70.77042247,-8.84630280875,{'tags': []},-70.77042247,-8.84630280875,-0.2242485681249988,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,8,5,mp-1220344,,Nb6AlGe,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al', 'Ge_d'], 'pot_type': 'paw'}","{'Nb': 6.0, 'Al': 1.0, 'Ge': 1.0}",GGA,mp-1220344,"['mp-1220344', 'mp-1388432', 'mp-1754189', 'mp-1925908', 'mp-1619029']",0.0004952,"{'Nb': 6.0, 'Al': 1.0, 'Ge': 1.0}",140.10476523412882,[],NM,False,200,0,"[0, 0, 0, 0, 0, 0, 0, 0]",3.534497910706122e-06,0.0004952,0,0.0004952,MP,data/source/MP/cleaned/cifs/MP-mp-1220344.cif,True,,data/final/MP/graphs/Al0.76Ge0.24Nb3-MP-mp-1220344-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,1,0,0,0,1.0,False
B1Li2Pd2.85Pt0.15,2,0.0499999999999999,4.0,False,B4Li8Pd11.4Pt0.6,B4Li8Pd12,6.4,Other,True,B16.667Li33.333Pd47.5Pt2.5,B-Li-Pd-Pt,4,Supercon,Li2Pd2.85Pt0.15B1,MP-mp-20657,Li8B4Pd12,B-Li-Pd,B16.667Li33.333Pd50,P 43 3 2,cubic,6.834153,6.834153,6.834153,data/final/MP/cifs/B1Li2Pd2.85Pt0.15-MP-mp-20657-synth_doped.cif,data/source/MP/raw/cifs/mp-20657.cif,mp-20657,0.0,,2014-02-22 22:20:25,7.157380380013985,10.17188/1195787,"@misc{osti_1195787,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Li2BPd3 (SG:212) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195787"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672514'}},0.0,3.54739631,520.0,-115.20693246,-4.8002888525000005,{'tags': ['Lithium palladium boride (2/3/1)']},-115.20693246,-4.8002888525000005,-0.4608083634722219,"['xas', 'bandstructure']",True,"[156465, 246447, 84931]",True,2021-05-12 10:56:57.051000,NM,24,9,mp-20657,,Li2BPd3,"{'functional': 'PBE', 'labels': ['Li_sv', 'B', 'Pd'], 'pot_type': 'paw'}","{'Li': 2.0, 'B': 1.0, 'Pd': 3.0}",GGA,mp-20657,"['mp-921382', 'mp-906713', 'mp-920352', 'mp-20657', 'mp-1116014', 'mp-1415525', 'mp-1672514', 'mp-1806936', 'mp-1654311']",4.895e-05,"{'Li': 8.0, 'B': 4.0, 'Pd': 12.0}",319.1935391161389,[],NM,False,212,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",6.134209374731673e-07,4.895e-05,0,0.0001958,MP,data/source/MP/cleaned/cifs/MP-mp-20657.cif,True,,data/final/MP/graphs/B1Li2Pd2.85Pt0.15-MP-mp-20657-synth_doped.json,0,True,432,4,0,0,0,0,0,0,1,0,0,0,1.0,False
W1O3,1,0.0,2.0,False,W2O6,W2O6,0.0,Oxide,True,W25O75,W-O,2,Supercon,O3W1,MP-mp-19443,W2O6,W-O,W25O75,P 4/n m m,tetragonal,3.908073,5.440348,5.440348,data/final/MP/cifs/W1O3-MP-mp-19443.cif,data/source/MP/raw/cifs/mp-19443.cif,mp-19443,1.1508,,2013-12-31 23:01:29,6.656532552676546,10.17188/1194456,"@misc{osti_1194456,
    author = ""Persson, Kristin"",
    title = ""Materials Data on WO3 (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1194456"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1702324'}},0.0,0.42276483,520.0,-60.0856012,-7.51070015,"{'tags': ['Tungsten trioxide - HT', 'Lithium tungsten oxide (0.1/1/3)']}",-60.0856012,-7.51070015,-2.1849477787500007,"['diel', 'xas', 'elasticity', 'bandstructure']",True,"[67748, 27962, 88367, 27961, 89092]",True,2021-05-12 10:56:14.760000,NM,8,16,mp-19443,oxide,WO3,"{'functional': 'PBE', 'labels': ['W_pv', 'O'], 'pot_type': 'paw'}","{'W': 1.0, 'O': 3.0}",GGA+U,mp-19443,"['mp-796280', 'mp-796641', 'mp-715462', 'mp-19443', 'mp-1141178', 'mp-825908', 'mp-825767', 'mp-835198', 'mp-826623', 'mp-1476107', 'mp-1702324', 'mp-1803944', 'mp-797399', 'mp-1590327', 'mp-827356', 'mp-835980']",5.54e-05,"{'W': 2.0, 'O': 6.0}",115.6687465083988,[],NM,False,129,0,"[0, 0, 0, 0, 0, 0, 0, 0]",9.57907847578816e-07,5.54e-05,0,0.0001108,MP,data/source/MP/cleaned/cifs/MP-mp-19443.cif,False,,data/final/MP/graphs/W1O3-MP-mp-19443.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
La0.8Pb3Pr0.2,3,0.0999999999999999,1.0,True,La0.8Pb3Pr0.2,La1Pb3,1.34,Other,True,La20Pb75Pr5,La-Pb-Pr,3,Supercon,La0.8Pr0.2Pb3,MP-mp-21432,La1Pb3,La-Pb,La25Pb75,P m -3 m,cubic,4.968277,4.968277,4.968277,data/final/MP/cifs/La0.8Pb3Pr0.2-MP-mp-21432-synth_doped.cif,data/source/MP/raw/cifs/mp-21432.cif,mp-21432,0.0,,2014-02-21 08:53:02,10.297552988886016,10.17188/1196890,"@misc{osti_1196890,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaPb3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196890"",
    place = ""United States"",
    year = ""2016"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687535'}},0.0,7.94036935,520.0,-17.86283558,-4.465708895,{'tags': ['Lanthanum lead (1/3)']},-17.86283558,-4.465708895,-0.447221816249999,"['xas', 'elasticity', 'bandstructure']",True,"[641644, 104691, 641647, 641640, 104692, 151360]",True,2021-05-12 10:56:16.728000,NM,4,8,mp-21432,,LaPb3,"{'functional': 'PBE', 'labels': ['La', 'Pb_d'], 'pot_type': 'paw'}","{'La': 1.0, 'Pb': 3.0}",GGA,mp-21432,"['mp-993074', 'mp-991107', 'mp-21432', 'mp-1439281', 'mp-1687535', 'mp-1784789', 'mp-994394', 'mp-1589043']",0.0017048,"{'La': 1.0, 'Pb': 3.0}",122.63583830653424,[],NM,False,221,0,"[0, 0, 0, 0]",1.3901319740961604e-05,0.0017048,0,0.0017048,MP,data/source/MP/cleaned/cifs/MP-mp-21432.cif,True,,data/final/MP/graphs/La0.8Pb3Pr0.2-MP-mp-21432-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cu1La1.775Sr0.225O4,3,0.0642857142857143,1.0,True,Cu1La1.775Sr0.225O4,Cu1La2O4,21.5,Cuprate,True,Cu14.286La25.357Sr3.214O57.142857142857146,Cu-La-Sr-O,4,Supercon,La1.775Sr0.225Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La1.775Sr0.225O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La1.775Sr0.225O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba2Ca0.9Ce0.1Cu2Tl2O8,2,0.0133333333333333,1.0,True,Ba2Ca0.9Ce0.1Cu2Tl2O8,Ba2Ca1Cu2Tl2O8,100.0,Cuprate,True,Ba13.333Ca6Ce0.667Cu13.333Tl13.333O53.333333333333336,Ba-Ca-Ce-Cu-Tl-O,6,Supercon,Tl2Ba2Ca0.9Ce0.1Cu2O8,MP-mp-6885,Ba2Ca1Tl2Cu2O8,Ba-Ca-Cu-Tl-O,Ba13.333Ca6.667Cu13.333Tl13.333O53.333333333333336,I 4/m m m,tetragonal,3.8887880015527454,3.8887880015527454,15.44888372,data/final/MP/cifs/Ba2Ca0.9Ce0.1Cu2Tl2O8-MP-mp-6885-synth_doped.cif,data/source/MP/raw/cifs/mp-6885.cif,mp-6885,0.0,,2011-05-16 00:12:29,7.06827160481344,10.17188/1284435,"@misc{osti_1284435,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2CaTl2(CuO4)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1284435"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1676611'}},0.0059098983148224,4.22920004,520.0,-81.10596699,-5.407064466,"{'tags': ['Dithallium(III) dibarium calcium dicopper oxide', 'Dithallium dibarium calcium dicopper oxide']}",-81.10596699,-5.407064466,-1.8834025184444445,"['xas', 'bandstructure']",True,"[78592, 78593, 65554]",True,2021-05-12 10:57:38.495000,NM,15,8,mp-6885,oxide,Ba2CaTl2(CuO4)2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ca_sv', 'Tl_d', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Ca': 1.0, 'Tl': 2.0, 'Cu': 2.0, 'O': 8.0}",GGA,mp-6885,"['mp-6885', 'mp-556042', 'mvc-16338', 'mp-1423335', 'mp-1676611', 'mp-1777344', 'mp-1931767', 'mp-1607471']",0.0018692,"{'Ba': 2.0, 'Ca': 1.0, 'Tl': 2.0, 'Cu': 2.0, 'O': 8.0}",229.8977800758837,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",8.130570027179132e-06,0.0018692,0,0.0018692,MP,data/source/MP/cleaned/cifs/MP-mp-6885.cif,True,,data/final/MP/graphs/Ba2Ca0.9Ce0.1Cu2Tl2O8-MP-mp-6885-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
As1Ge1W1,1,0.0,2.0,False,As2Ge2W2,As2Ge2W2,0.0,Other,True,As33.333Ge33.333W33.333,As-Ge-W,3,Supercon,As1Ge1W1,MP-mp-1224396,Ge2As2W2,As-Ge-W,As33.333Ge33.333W33.333,C 1 2/m 1,monoclinic,3.3189479970808486,4.94386875,6.928712133177165,data/final/MP/cifs/As1Ge1W1-MP-mp-1224396.cif,data/source/MP/raw/cifs/mp-1224396.cif,mp-1224396,0.0,,2019-01-13 00:39:06.389000,10.65826549694284,,,{'GGA': {'task_id': 'mp-1760820'}},0.0171263955555556,6.84579118,520.0,-44.64784496,-7.441307493333333,{'tags': []},-44.64784496,-7.441307493333333,-0.0278832499999997,['bandstructure'],True,[],True,2021-05-12 10:58:45.495000,NM,6,5,mp-1224396,,GeAsW,"{'functional': 'PBE', 'labels': ['Ge_d', 'As', 'W_pv'], 'pot_type': 'paw'}","{'Ge': 1.0, 'As': 1.0, 'W': 1.0}",GGA,mp-1224396,"['mp-1224396', 'mp-1443861', 'mp-1760820', 'mp-1796829', 'mp-1625470']",0.00098675,"{'Ge': 2.0, 'As': 2.0, 'W': 2.0}",103.26357580257184,[],NM,False,12,0,"[0, 0, 0, 0, 0, 0]",1.9111288609384466e-05,0.00098675,0,0.0019735,MP,data/source/MP/cleaned/cifs/MP-mp-1224396.cif,False,,data/final/MP/graphs/As1Ge1W1-MP-mp-1224396.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
C0.96Sc1,2,0.0204081632653061,1.0,True,C0.96Sc1,C1Sc1,0.0,Other,True,C48.98Sc51.02,C-Sc,2,Supercon,C0.96Sc1,MP-mp-10020,Sc1C1,C-Sc,C50Sc50,F m -3 m,cubic,3.31332277,3.31332277,3.31332277,data/final/MP/cifs/C0.96Sc1-MP-mp-10020-synth_doped.cif,data/source/MP/raw/cifs/mp-10020.cif,mp-10020,0.0,,2011-05-27 17:29:53,3.6778435467959465,10.17188/1184827,"@misc{osti_1184827,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ScC (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1184827"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688522'}},0.3081388203571436,4.23553601,520.0,-15.83727854,-7.91863927,"{'tags': ['Scandium carbide (1/1)', 'Scandium carbide (1/1) - B1']}",-15.83727854,-7.91863927,-0.1390143674999997,"['xas', 'elasticity', 'bandstructure']",True,"[43524, 181047, 189084]",True,2021-05-12 10:56:08.727000,NM,2,12,mp-10020,,ScC,"{'functional': 'PBE', 'labels': ['Sc_sv', 'C'], 'pot_type': 'paw'}","{'Sc': 1.0, 'C': 1.0}",GGA,mp-10020,"['mp-10020', 'mp-1060873', 'mp-1060891', 'mp-1060938', 'mp-1000764', 'mp-1007212', 'mp-1440147', 'mp-1688522', 'mp-1782342', 'mp-1011955', 'mp-1587414', 'mp-1060927']",0.0066208,"{'Sc': 1.0, 'C': 1.0}",25.720312328199388,[],NM,False,225,0,"[0, 0]",0.0002574152255818,0.0066208,0,0.0066208,MP,data/source/MP/cleaned/cifs/MP-mp-10020.cif,True,,data/final/MP/graphs/C0.96Sc1-MP-mp-10020-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Co1.9Cu0.9S4,2,0.0336134453781512,2.0,False,Co3.8Cu1.8S8,Co4Cu2S8,1.6,Other,True,Co27.941Cu13.235S58.824,Co-Cu-S,3,Supercon,Cu0.9Co1.9S4,MP-mp-3925,Co4Cu2S8,Co-Cu-S,Co28.571Cu14.286S57.143,F d -3 m,cubic,6.69987918,6.699879179999999,6.699879179999999,data/final/MP/cifs/Co1.9Cu0.9S4-MP-mp-3925-synth_doped.cif,data/source/MP/raw/cifs/mp-3925.cif,mp-3925,0.0,,2011-05-15 03:07:38,4.836104359598833,10.17188/1207634,"@misc{osti_1207634,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Co2CuS4 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207634"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698326'}},0.0,5.68331854,520.0,-75.59837827,-5.399884162142857,"{'tags': ['Cobalt copper sulfide (2/1/4)', 'Carrollite', 'Dicobalt(III) copper sulfide']}",-75.59837827,-5.399884162142857,-0.7070782010714284,"['xas', 'bandstructure']",True,"[622571, 31107, 52943]",True,2021-05-12 10:57:08.928000,NM,14,8,mp-3925,,Co2CuS4,"{'functional': 'PBE', 'labels': ['Co', 'Cu_pv', 'S'], 'pot_type': 'paw'}","{'Co': 2.0, 'Cu': 1.0, 'S': 4.0}",GGA,mp-3925,"['mp-931396', 'mp-915858', 'mp-932359', 'mp-3925', 'mp-1425952', 'mp-1698326', 'mp-1833413', 'mp-1599756']",0.00593025,"{'Co': 4.0, 'Cu': 2.0, 'S': 8.0}",212.6600516474575,[],NM,False,227,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",5.5772110972972206e-05,0.00593025,0,0.0118605,MP,data/source/MP/cleaned/cifs/MP-mp-3925.cif,True,,data/final/MP/graphs/Co1.9Cu0.9S4-MP-mp-3925-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Al0.1Ga0.9V3,2,0.0499999999999999,2.0,False,Al0.2Ga1.8V6,Ga2V6,13.9,Other,True,Al2.5Ga22.5V75,Al-Ga-V,3,Supercon,Al0.1Ga0.9V3,MP-mp-22568,V6Ga2,Ga-V,Ga25V75,P m -3 n,cubic,4.789645,4.789645,4.789645,data/final/MP/cifs/Al0.1Ga0.9V3-MP-mp-22568-synth_doped.cif,data/source/MP/raw/cifs/mp-22568.cif,mp-22568,0.0,,2014-02-22 11:36:40,6.726541666276222,10.17188/1198793,"@misc{osti_1198793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686867'}},0.0,5.67452231,520.0,-61.95244347,-7.74405543375,{'tags': ['Gallium vanadium (1/3)']},-61.95244347,-7.74405543375,-0.1741018756249994,"['xas', 'elasticity', 'bandstructure']",True,"[635643, 635628, 635619, 635634, 104021, 635646, 635604, 635610, 635617, 635624, 635626, 635605, 635631, 635625, 635636, 635603, 104020, 635616, 635607]",True,2021-05-12 10:56:16.728000,FM,8,9,mp-22568,,V3Ga,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ga': 1.0}",GGA,mp-22568,"['mp-941343', 'mp-941663', 'mp-934924', 'mp-22568', 'mp-1440749', 'mp-1686867', 'mp-1804076', 'mp-1593784', 'mp-1595713']",0.09063635,"{'V': 6.0, 'Ga': 2.0}",109.87780534443452,[],FM,True,131,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0, -0.0, -0.0]",0.0016497662965852,0.09063635,2,0.1812727,MP,data/source/MP/cleaned/cifs/MP-mp-22568.cif,True,,data/final/MP/graphs/Al0.1Ga0.9V3-MP-mp-22568-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Mo1S2,1,0.0,2.0,False,Mo2S4,Mo2S4,0.0,Chevrel,True,Mo33.333S66.667,Mo-S,2,Supercon,Mo1S2,MP-mp-2815,Mo2S4,Mo-S,Mo33.333S66.667,P 63/m m c,hexagonal,3.1903159980743583,3.19031539,14.879004,data/final/MP/cifs/Mo1S2-MP-mp-2815.cif,data/source/MP/raw/cifs/mp-2815.cif,mp-2815,1.4648999999999996,,2011-05-13 04:19:06,4.053379365580824,10.17188/1202268,"@misc{osti_1202268,
    author = ""Persson, Kristin"",
    title = ""Materials Data on MoS2 (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1202268"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687660'}},0.0,3.76712671,520.0,-43.43443268,-7.239072113333333,"{'tags': ['Molybdenum(IV) sulfide', 'Molybdenite-2H', 'Molybdenite', 'Molybdenite 2H', 'Molybdenum sulfide (1/2)', 'Molybdenum disulfide']}",-43.43443268,-7.239072113333333,-1.2015578587500002,"['diel', 'xas', 'elasticity', 'bandstructure']",True,"[49801, 95569, 644246, 601647, 84180, 191305, 644245, 24000, 31067, 95570, 644250, 105091]",True,2021-05-12 10:56:18.721000,NM,6,16,mp-2815,,MoS2,"{'functional': 'PBE', 'labels': ['Mo_pv', 'S'], 'pot_type': 'paw'}","{'Mo': 1.0, 'S': 2.0}",GGA,mp-2815,"['mp-850809', 'mp-851356', 'mp-850046', 'mp-658582', 'mp-664334', 'mp-655561', 'mp-2815', 'mp-1077043', 'mp-1077396', 'mp-1077798', 'mp-1141285', 'mp-1476234', 'mp-1687660', 'mp-1788428', 'mp-852058', 'mp-1594746']",1.73e-05,"{'Mo': 2.0, 'S': 4.0}",131.15105417850478,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0]",2.638179328159058e-07,1.73e-05,0,3.46e-05,MP,data/source/MP/cleaned/cifs/MP-mp-2815.cif,False,,data/final/MP/graphs/Mo1S2-MP-mp-2815.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Na0.5Nb1S2,1,0.0,2.0,False,Na1Nb2S4,Na1Nb2S4,1.3,Other,True,Na14.286Nb28.571S57.143,Na-Nb-S,3,Supercon,Na0.5Nb1S2,MP-mp-1221395,Na1Nb2S4,Na-Nb-S,Na14.286Nb28.571S57.143,P 3 m 1,trigonal,3.4098420021878746,3.4098421800000005,14.32019,data/final/MP/cifs/Na0.5Nb1S2-MP-mp-1221395.cif,data/source/MP/raw/cifs/mp-1221395.cif,mp-1221395,0.0,,2019-01-12 22:05:41.923000,3.881607507452781,,,{'GGA': {'task_id': 'mp-1754651'}},0.0416982342857146,3.81891588,520.0,-45.9548817,-6.5649831,{'tags': []},-45.9548817,-6.5649831,-1.4137066941502463,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,7,5,mp-1221395,,Na(NbS2)2,"{'functional': 'PBE', 'labels': ['Na_pv', 'Nb_pv', 'S'], 'pot_type': 'paw'}","{'Na': 1.0, 'Nb': 2.0, 'S': 4.0}",GGA,mp-1221395,"['mp-1221395', 'mp-1402052', 'mp-1754651', 'mp-1779016', 'mp-1622191']",0.0075581,"{'Na': 1.0, 'Nb': 2.0, 'S': 4.0}",144.19425371622404,[],NM,False,156,0,"[0, 0, 0, 0, 0, 0, 0]",5.241609707190155e-05,0.0075581,0,0.0075581,MP,data/source/MP/cleaned/cifs/MP-mp-1221395.cif,False,,data/final/MP/graphs/Na0.5Nb1S2-MP-mp-1221395.json,0,True,3m,0,0,0,0,0,0,5,1,0,0,0,1.0,False
As1F0.08Fe1Nd1O0.92,2,0.0399999999999999,2.0,False,As2F0.16Fe2Nd2O1.84,As2Fe2Nd2O2,35.0,Ferrite,True,As25F2Fe25Nd25O23,As-F-Fe-Nd-O,5,Supercon,Nd1Fe1As1F0.08O0.92,MP-mp-622621,Nd2Fe2As2O2,As-Fe-Nd-O,As25Fe25Nd25O25,P 4/n m m,tetragonal,4.074653,4.074653,9.170967,data/final/MP/cifs/As1F0.08Fe1Nd1O0.92-MP-mp-622621-synth_doped.cif,data/source/MP/raw/cifs/mp-622621.cif,mp-622621,0.0,,2014-02-16 22:28:25,6.347279619112142,10.17188/1278150,"@misc{osti_1278150,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NdFeAsO (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278150"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1677677'}},0.2809314202083302,3.74777613,520.0,-52.70842543,-6.58855317875,{'tags': ['Neodymium iron arsenic oxide (1/1/1/1)']},-52.70842543,-6.58855317875,-1.61299541125,"['xas', 'bandstructure']",True,"[163547, 164679, 422001, 163546, 236651, 236650, 602466, 164680, 164676]",True,2021-05-12 10:57:28.836000,FM,8,8,mp-622621,oxide,NdFeAsO,"{'functional': 'PBE', 'labels': ['Nd_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Nd': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-622621,"['mp-622621', 'mp-1079381', 'mp-1173401', 'mp-1438697', 'mp-1677677', 'mp-1772072', 'mp-1926310', 'mp-1592869']",3.83954265,"{'Nd': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",152.26370404041757,[],FM,True,129,1,"[0.0, 0.0, 3.6, 3.6, -0.0, -0.0, -0.0, -0.0]",0.0504328024094411,3.83954265,2,7.6790853,MP,data/source/MP/cleaned/cifs/MP-mp-622621.cif,True,,data/final/MP/graphs/As1F0.08Fe1Nd1O0.92-MP-mp-622621-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
B2C1Ho0.97La0.03Ni2,2,0.01,1.0,True,B2C1Ho0.97La0.03Ni2,B2C1Ho1Ni2,7.44,Other,True,B33.333C16.667Ho16.167La0.5Ni33.333,B-C-Ho-La-Ni,5,Supercon,Ho0.97La0.03Ni2B2C1,MP-mp-6646,Ho1Ni2B2C1,B-C-Ho-Ni,B33.333C16.667Ho16.667Ni33.333,I 4/m m m,tetragonal,3.529863997734658,3.529863997734658,5.76032203,data/final/MP/cifs/B2C1Ho0.97La0.03Ni2-MP-mp-6646-synth_doped.cif,data/source/MP/raw/cifs/mp-6646.cif,mp-6646,0.0,,2011-05-13 04:24:09,8.11075125231065,10.17188/1281460,"@misc{osti_1281460,
    author = ""Persson, Kristin"",
    title = ""Materials Data on HoNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281460"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1670774'}},0.0,6.70981387,520.0,-41.84364575,-6.973940958333333,{'tags': ['Holmium dinickel diboride carbide']},-41.84364575,-6.973940958333333,-0.5192332130555558,"['xas', 'elasticity', 'bandstructure']",True,"[79064, 56650, 79065, 79062, 79063, 79575]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6646,,HoNi2B2C,"{'functional': 'PBE', 'labels': ['Ho_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Ho': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6646,"['mp-1007146', 'mp-6646', 'mp-1000682', 'mp-1439301', 'mp-1670774', 'mp-1782657', 'mp-1011887', 'mp-1589032']",0.0032459,"{'Ho': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",64.68537905730652,[],NM,False,139,0,"[0.0, -0.0, -0.0, 0.0, 0.0, 0.0]",5.017980952271099e-05,0.0032459,0,0.0032459,MP,data/source/MP/cleaned/cifs/MP-mp-6646.cif,True,,data/final/MP/graphs/B2C1Ho0.97La0.03Ni2-MP-mp-6646-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Co0.6Ni0.4Zr2,3,0.0666666666666666,2.0,False,Co1.2Ni0.8Zr4,Co1Ni1Zr4,4.2,Other,True,Co20Ni13.333Zr66.667,Co-Ni-Zr,3,Supercon,Zr2Co0.6Ni0.4,MP-mp-1215379,Zr4Co1Ni1,Co-Ni-Zr,Co16.667Ni16.667Zr66.667,I 4 2 2,tetragonal,5.30408692094024,5.30408692,5.30408692,data/final/MP/cifs/Co0.6Ni0.4Zr2-MP-mp-1215379-synth_doped.cif,data/source/MP/raw/cifs/mp-1215379.cif,mp-1215379,0.0,,2019-01-12 17:04:40.863000,7.126495060084947,,,{'GGA': {'task_id': 'mp-1759199'}},0.0060319050000003,4.68660376,520.0,-48.79738245,-8.132897075,{'tags': []},-48.79738245,-8.132897075,-0.286354242500001,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,NM,6,5,mp-1215379,,Zr4CoNi,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Co', 'Ni_pv'], 'pot_type': 'paw'}","{'Zr': 4.0, 'Co': 1.0, 'Ni': 1.0}",GGA,mp-1215379,"['mp-1215379', 'mp-1385448', 'mp-1759199', 'mp-1802552', 'mp-1624939']",0.0012606,"{'Zr': 4.0, 'Co': 1.0, 'Ni': 1.0}",112.4322142594959,[],NM,False,97,0,"[0.0, 0.0, 0.0, 0.0, -0.0, 0.0]",1.1212089064531888e-05,0.0012606,0,0.0012606,MP,data/source/MP/cleaned/cifs/MP-mp-1215379.cif,True,,data/final/MP/graphs/Co0.6Ni0.4Zr2-MP-mp-1215379-synth_doped.json,0,True,422,0,0,0,0,4,0,0,0,0,1,0,1.0,False
Ga1V2.742Zr0.258,3,0.129,2.0,False,Ga2V5.484Zr0.516,Ga2V6,9.9,Other,True,Ga25V68.55Zr6.45,Ga-V-Zr,3,Supercon,V2.742Zr0.258Ga1,MP-mp-22568,V6Ga2,Ga-V,Ga25V75,P m -3 n,cubic,4.789645,4.789645,4.789645,data/final/MP/cifs/Ga1V2.742Zr0.258-MP-mp-22568-synth_doped.cif,data/source/MP/raw/cifs/mp-22568.cif,mp-22568,0.0,,2014-02-22 11:36:40,6.726541666276222,10.17188/1198793,"@misc{osti_1198793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686867'}},0.0,5.67452231,520.0,-61.95244347,-7.74405543375,{'tags': ['Gallium vanadium (1/3)']},-61.95244347,-7.74405543375,-0.1741018756249994,"['xas', 'elasticity', 'bandstructure']",True,"[635643, 635628, 635619, 635634, 104021, 635646, 635604, 635610, 635617, 635624, 635626, 635605, 635631, 635625, 635636, 635603, 104020, 635616, 635607]",True,2021-05-12 10:56:16.728000,FM,8,9,mp-22568,,V3Ga,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ga': 1.0}",GGA,mp-22568,"['mp-941343', 'mp-941663', 'mp-934924', 'mp-22568', 'mp-1440749', 'mp-1686867', 'mp-1804076', 'mp-1593784', 'mp-1595713']",0.09063635,"{'V': 6.0, 'Ga': 2.0}",109.87780534443452,[],FM,True,131,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0, -0.0, -0.0]",0.0016497662965852,0.09063635,2,0.1812727,MP,data/source/MP/cleaned/cifs/MP-mp-22568.cif,True,,data/final/MP/graphs/Ga1V2.742Zr0.258-MP-mp-22568-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ga3U1,1,0.0,1.0,True,Ga3U1,Ga3U1,0.0,Heavy_fermion,True,Ga75U25,Ga-U,2,Supercon,Ga3U1,MP-mp-20214,U1Ga3,Ga-U,Ga75U25,P m -3 m,cubic,4.243512,4.243512,4.243512,data/final/MP/cifs/Ga3U1-MP-mp-20214.cif,data/source/MP/raw/cifs/mp-20214.cif,mp-20214,0.0,,2014-02-21 10:54:43,9.7179029765172,10.17188/1195353,"@misc{osti_1195353,
    author = ""Persson, Kristin"",
    title = ""Materials Data on UGa3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195353"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1673227'}},0.0,6.48891222,520.0,-21.33345293,-5.3333632325,{'tags': ['Gallium uranium (3/1)']},-21.33345293,-5.3333632325,-0.2394387131249997,"['xas', 'elasticity', 'bandstructure']",True,"[635598, 104015, 635591, 104016]",True,2021-05-12 10:56:14.760000,FM,4,8,mp-20214,,UGa3,"{'functional': 'PBE', 'labels': ['U', 'Ga_d'], 'pot_type': 'paw'}","{'U': 1.0, 'Ga': 3.0}",GGA,mp-20214,"['mp-991470', 'mp-993424', 'mp-20214', 'mp-1476073', 'mp-1673227', 'mp-1781894', 'mp-994750', 'mp-1588703']",2.4827176,"{'U': 1.0, 'Ga': 3.0}",76.4145929272292,[],FM,True,221,1,"[2.1, 0.0, 0.0, 0.0]",0.0324900978320244,2.4827176,1,2.4827176,MP,data/source/MP/cleaned/cifs/MP-mp-20214.cif,False,,data/final/MP/graphs/Ga3U1-MP-mp-20214.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
As2Ba1Fe1.28Ru0.72,3,0.112,1.0,True,As2Ba1Fe1.28Ru0.72,As2Ba1Fe1Ru1,8.95,Ferrite,True,As40Ba20Fe25.6Ru14.4,As-Ba-Fe-Ru,4,Supercon,Ba1Fe1.28Ru0.72As2,MP-mp-1227957,Ba1Fe1As2Ru1,As-Ba-Fe-Ru,As40Ba20Fe20Ru20,I -4 m 2,tetragonal,4.094864001738776,4.094864001738776,6.95494631,data/final/MP/cifs/As2Ba1Fe1.28Ru0.72-MP-mp-1227957-synth_doped.cif,data/source/MP/raw/cifs/mp-1227957.cif,mp-1227957,0.0,,2019-01-13 03:43:43.313000,6.954649854678861,,,{'GGA': {'task_id': 'mp-1760595'}},0.0416149764999991,4.99960359,520.0,-31.92363508,-6.384727016,{'tags': []},-31.92363508,-6.384727016,-0.5884058670000002,['bandstructure'],True,[],True,2021-05-12 10:58:49.477000,FM,5,5,mp-1227957,,BaFeAs2Ru,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Fe_pv', 'As', 'Ru_pv'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Fe': 1.0, 'As': 2.0, 'Ru': 1.0}",GGA,mp-1227957,"['mp-1227957', 'mp-1384589', 'mp-1760595', 'mp-1795888', 'mp-1627878']",0.1424858,"{'Ba': 1.0, 'Fe': 1.0, 'As': 2.0, 'Ru': 1.0}",106.03277503651196,[],FM,True,119,1,"[0.0, 0.2, 0.0, 0.0, -0.0]",0.0013437901625316,0.1424858,1,0.1424858,MP,data/source/MP/cleaned/cifs/MP-mp-1227957.cif,True,,data/final/MP/graphs/As2Ba1Fe1.28Ru0.72-MP-mp-1227957-synth_doped.json,0,True,-42m,0,0,0,0,6,0,0,0,0,1,0,1.0,False
C2Pr1,3,0.1333333333333334,6.0,False,C12Pr6,C12Pr8,0.0,Carbon,True,C66.667Pr33.333,C-Pr,2,Supercon,C2Pr1,MP-mp-683,Pr8C12,C-Pr,C60Pr40,I -4 3 d,cubic,7.534434871670267,7.53443487,7.53443487,data/final/MP/cifs/C2Pr1-MP-mp-683-synth_doped.cif,data/source/MP/raw/cifs/mp-683.cif,mp-683,0.0,,2011-05-15 17:10:05,6.412060238921852,10.17188/1283760,"@misc{osti_1283760,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Pr2C3 (SG:220) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1283760"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1670161'}},0.0,5.14262908,520.0,-151.80165038,-7.590082519000001,{'tags': ['Praseodymium carbide (2/3)']},-151.80165038,-7.590082519000001,-0.141654441,"['xas', 'bandstructure']",True,"[2444, 2445, 74662, 618641, 602781]",True,2021-05-12 10:57:38.495000,NM,20,8,mp-683,,Pr2C3,"{'functional': 'PBE', 'labels': ['Pr_3', 'C'], 'pot_type': 'paw'}","{'Pr': 2.0, 'C': 3.0}",GGA,mp-683,"['mp-923713', 'mp-922921', 'mp-908685', 'mp-683', 'mp-1504105', 'mp-1670161', 'mp-1809098', 'mp-1604543']",0.0027013,"{'Pr': 8.0, 'C': 12.0}",329.2533165633408,[],NM,False,220,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",3.2817285222156075e-05,0.0027013,0,0.0108052,MP,data/source/MP/cleaned/cifs/MP-mp-683.cif,True,,data/final/MP/graphs/C2Pr1-MP-mp-683-synth_doped.json,0,True,-43m,5,0,0,0,0,0,0,0,0,1,0,1.0,False
Fe2U1,1,0.0,2.0,False,Fe4U2,Fe4U2,0.0,Heavy_fermion,True,Fe66.667U33.333,Fe-U,2,Supercon,Fe2U1,MP-mp-21050,U2Fe4,Fe-U,Fe66.667U33.333,F d -3 m,cubic,4.93100065,4.93100065,4.93100065,data/final/MP/cifs/Fe2U1-MP-mp-21050.cif,data/source/MP/raw/cifs/mp-21050.cif,mp-21050,0.0,,2014-02-21 16:09:31,13.699604416805926,10.17188/1196311,"@misc{osti_1196311,
    author = ""Persson, Kristin"",
    title = ""Materials Data on UFe2 (SG:227) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196311"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668519'}},0.0,10.05693766,520.0,-57.07354921,-9.512258201666668,{'tags': ['Iron uranium (2/1)']},-57.07354921,-9.512258201666668,-0.1017825650000006,"['xas', 'bandstructure']",True,"[103680, 150487, 150653, 634017, 634006, 633998, 634010, 634003, 634002, 103679, 634004, 634007, 634018, 634000]",True,2021-05-12 10:56:57.051000,FiM,6,6,mp-21050,,UFe2,"{'functional': 'PBE', 'labels': ['U', 'Fe_pv'], 'pot_type': 'paw'}","{'U': 1.0, 'Fe': 2.0}",GGA,mp-21050,"['mp-21050', 'mp-1440770', 'mp-1668519', 'mp-1782735', 'mp-1590622', 'mp-1587331']",0.60890635,"{'U': 2.0, 'Fe': 4.0}",84.77936949352662,[],FiM,True,227,2,"[-1.6, -1.6, 1.2, 1.2, 1.2, 1.2]",0.0143644934761279,0.60890635,6,1.2178127,MP,data/source/MP/cleaned/cifs/MP-mp-21050.cif,False,,data/final/MP/graphs/Fe2U1-MP-mp-21050.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Ir1Zr2,1,0.0,2.0,False,Ir2Zr4,Ir2Zr4,7.365,Other,True,Ir33.333Zr66.667,Ir-Zr,2,Supercon,Ir1Zr2,MP-mp-1077297,Zr4Ir2,Ir-Zr,Ir33.333Zr66.667,I 4/m c m,tetragonal,5.454914179978811,5.45491418,5.454914180000001,data/final/MP/cifs/Ir1Zr2-MP-mp-1077297.cif,data/source/MP/raw/cifs/mp-1077297.cif,mp-1077297,0.0,,2018-04-08 15:15:47,10.058132932088222,,,{'GGA': {'task_id': 'mp-1702348'}},0.00090835090276,5.40456186,520.0,-55.87750611,-9.312917685,"{'tags': ['Iridium zirconium (1/2)', 'Zr2Ir', 'CuAl2']}",-55.87750611,-9.312917685,-0.6683071250000007,['bandstructure'],True,[641204],True,2021-05-12 10:58:14.654000,NM,6,5,mp-1077297,,Zr2Ir,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Ir'], 'pot_type': 'paw'}","{'Zr': 2.0, 'Ir': 1.0}",GGA,mp-1077297,"['mp-1077297', 'mp-1420233', 'mp-1702348', 'mp-1786261', 'mp-1593685']",0.0003422,"{'Zr': 4.0, 'Ir': 2.0}",123.71001130893228,[],NM,False,140,0,"[0, 0, 0, 0, 0, 0]",5.532292760776622e-06,0.0003422,0,0.0006844,MP,data/source/MP/cleaned/cifs/MP-mp-1077297.cif,False,,data/final/MP/graphs/Ir1Zr2-MP-mp-1077297.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba1Fe2Se3,1,0.0,4.0,False,Ba4Fe8Se12,Ba4Fe8Se12,11.0,Ferrite,True,Ba16.667Fe33.333Se50,Ba-Fe-Se,3,Supercon,Ba1Fe2Se3,MP-mp-504563,Ba4Fe8Se12,Ba-Fe-Se,Ba16.667Fe33.333Se50,P n m a,orthorhombic,5.42469,9.198872,12.160433,data/final/MP/cifs/Ba1Fe2Se3-MP-mp-504563.cif,data/source/MP/raw/cifs/mp-504563.cif,mp-504563,0.0,,2014-02-25 21:39:28,5.318568614546303,10.17188/1261771,"@misc{osti_1261771,
    author = ""Persson, Kristin"",
    title = ""Materials Data on BaFe2Se3 (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1261771"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1766207'}},0.0582123379166672,3.70613428,520.0,-136.72250513,-5.696771047083334,"{'tags': ['Barium diiron selenide', 'Barium diiron(II) triselenide', 'Barium diiron triselenide']}",-136.72250513,-5.696771047083334,-1.041650686588541,"['xas', 'bandstructure']",True,"[424315, 424314, 185512, 16308, 290595]",True,2021-05-12 10:57:08.928000,FM,24,12,mp-504563,,BaFe2Se3,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Fe_pv', 'Se'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Fe': 2.0, 'Se': 3.0}",GGA,mp-504563,"['mp-909153', 'mp-924980', 'mp-924189', 'mp-504563', 'mp-1190953', 'mp-1191248', 'mp-1191577', 'mp-1192240', 'mp-1387997', 'mp-1766207', 'mp-1892022', 'mp-1616921']",6.999619675,"{'Ba': 4.0, 'Fe': 8.0, 'Se': 12.0}",606.8181191736439,[],FM,True,62,1,"[0.0, 0.0, 0.0, 0.0, 3.0, 3.0, 3.0, 3.0, 3.0, 3.0, 3.0, 3.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0461398198493609,6.999619675,8,27.9984787,MP,data/source/MP/cleaned/cifs/MP-mp-504563.cif,False,,data/final/MP/graphs/Ba1Fe2Se3-MP-mp-504563.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
As1Co0.1Fe0.9Na1,3,0.0666666666666666,2.0,False,As2Co0.2Fe1.8Na2,As2Fe2Na2,0.0,Ferrite,True,As33.333Co3.333Fe30Na33.333,As-Co-Fe-Na,4,Supercon,Na1Fe0.9Co0.1As1,MP-mp-22152,Na2Fe2As2,As-Fe-Na,As33.333Fe33.333Na33.333,P 4/n m m,tetragonal,3.923688,3.923688,6.918844,data/final/MP/cifs/As1Co0.1Fe0.9Na1-MP-mp-22152-synth_doped.cif,data/source/MP/raw/cifs/mp-22152.cif,mp-22152,0.0,,2014-02-21 10:51:39,4.793908463406792,10.17188/1197381,"@misc{osti_1197381,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NaFeAs (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197381"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704688'}},0.0,4.10723066,520.0,-30.57538864,-5.095898106666667,{'tags': ['Sodium iron arsenide']},-30.57538864,-5.095898106666667,-0.2786807238505749,"['xas', 'elasticity', 'bandstructure']",True,"[163144, 163143]",True,2021-05-12 10:56:16.728000,FM,6,8,mp-22152,,NaFeAs,"{'functional': 'PBE', 'labels': ['Na_pv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Na': 1.0, 'Fe': 1.0, 'As': 1.0}",GGA,mp-22152,"['mp-906352', 'mp-920130', 'mp-919102', 'mp-22152', 'mp-1413190', 'mp-1704688', 'mp-1797758', 'mp-1594769']",0.0693226,"{'Na': 2.0, 'Fe': 2.0, 'As': 2.0}",106.5178694490858,[],FM,True,129,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0]",0.0013016144682303,0.0693226,2,0.1386452,MP,data/source/MP/cleaned/cifs/MP-mp-22152.cif,True,,data/final/MP/graphs/As1Co0.1Fe0.9Na1-MP-mp-22152-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
B2C1Ho0.95La0.05Ni2,2,0.0166666666666666,1.0,True,B2C1Ho0.95La0.05Ni2,B2C1Ho1Ni2,6.62,Other,True,B33.333C16.667Ho15.833La0.833Ni33.333,B-C-Ho-La-Ni,5,Supercon,Ho0.95La0.05Ni2B2C1,MP-mp-6646,Ho1Ni2B2C1,B-C-Ho-Ni,B33.333C16.667Ho16.667Ni33.333,I 4/m m m,tetragonal,3.529863997734658,3.529863997734658,5.76032203,data/final/MP/cifs/B2C1Ho0.95La0.05Ni2-MP-mp-6646-synth_doped.cif,data/source/MP/raw/cifs/mp-6646.cif,mp-6646,0.0,,2011-05-13 04:24:09,8.11075125231065,10.17188/1281460,"@misc{osti_1281460,
    author = ""Persson, Kristin"",
    title = ""Materials Data on HoNi2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281460"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1670774'}},0.0,6.70981387,520.0,-41.84364575,-6.973940958333333,{'tags': ['Holmium dinickel diboride carbide']},-41.84364575,-6.973940958333333,-0.5192332130555558,"['xas', 'elasticity', 'bandstructure']",True,"[79064, 56650, 79065, 79062, 79063, 79575]",True,2021-05-12 10:56:27.046000,NM,6,8,mp-6646,,HoNi2B2C,"{'functional': 'PBE', 'labels': ['Ho_3', 'Ni_pv', 'B', 'C'], 'pot_type': 'paw'}","{'Ho': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-6646,"['mp-1007146', 'mp-6646', 'mp-1000682', 'mp-1439301', 'mp-1670774', 'mp-1782657', 'mp-1011887', 'mp-1589032']",0.0032459,"{'Ho': 1.0, 'Ni': 2.0, 'B': 2.0, 'C': 1.0}",64.68537905730652,[],NM,False,139,0,"[0.0, -0.0, -0.0, 0.0, 0.0, 0.0]",5.017980952271099e-05,0.0032459,0,0.0032459,MP,data/source/MP/cleaned/cifs/MP-mp-6646.cif,True,,data/final/MP/graphs/B2C1Ho0.95La0.05Ni2-MP-mp-6646-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu1La1.84Rb0.16O4,3,0.0457142857142857,1.0,True,Cu1La1.84Rb0.16O4,Cu1La2O4,0.0,Cuprate,True,Cu14.286La26.286Rb2.286O57.142857142857146,Cu-La-Rb-O,4,Supercon,La1.84Rb0.16Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La1.84Rb0.16O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La1.84Rb0.16O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
F0.1Fe1P1Pr1O0.9,2,0.0499999999999999,2.0,False,F0.2Fe2P2Pr2O1.8,Fe2P2Pr2O2,2.34,Ferrite,True,F2.5Fe25P25Pr25O22.5,F-Fe-P-Pr-O,5,Supercon,Pr1Fe1P1F0.1O0.9,MP-mp-22034,Pr2Fe2P2O2,Fe-P-Pr-O,Fe25P25Pr25O25,P 4/n m m,tetragonal,3.949546,3.949546,8.854318,data/final/MP/cifs/F0.1Fe1P1Pr1O0.9-MP-mp-22034-synth_doped.cif,data/source/MP/raw/cifs/mp-22034.cif,mp-22034,0.0,,2014-02-25 19:34:00,5.86045250815492,,,{'GGA+U': {'task_id': 'mp-1703221'}},0.4259771555902789,4.97387824,520.0,-54.1091137,-6.7636392125,{'tags': []},-54.1091137,-6.7636392125,-1.5963464358333337,"['xas', 'elasticity', 'bandstructure']",True,[80200],True,2021-05-12 10:56:20.740000,FM,8,7,mp-22034,oxide,PrFePO,"{'functional': 'PBE', 'labels': ['Pr_3', 'Fe_pv', 'P', 'O'], 'pot_type': 'paw'}","{'Pr': 1.0, 'Fe': 1.0, 'P': 1.0, 'O': 1.0}",GGA+U,mp-22034,"['mp-505258', 'mp-22034', 'mp-1415737', 'mp-1703221', 'mp-1768970', 'mp-1925079', 'mp-1594411']",3.75014405,"{'Pr': 2.0, 'Fe': 2.0, 'P': 2.0, 'O': 2.0}",138.11774152307777,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, 0.0, 0.0, 0.0, 0.0]",0.0543035819822379,3.75014405,2,7.5002881,MP,data/source/MP/cleaned/cifs/MP-mp-22034.cif,True,,data/final/MP/graphs/F0.1Fe1P1Pr1O0.9-MP-mp-22034-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Rh1Ru2U1,1,0.0,1.0,True,Rh1Ru2U1,Rh1Ru2U1,0.0,Heavy_fermion,True,Rh25Ru50U25,Rh-Ru-U,3,Supercon,Rh1Ru2U1,MP-mp-1216633,U1Ru2Rh1,Rh-Ru-U,Rh25Ru50U25,P 4/m m m,tetragonal,3.941626,4.043357,4.043357,data/final/MP/cifs/Rh1Ru2U1-MP-mp-1216633.cif,data/source/MP/raw/cifs/mp-1216633.cif,mp-1216633,0.0,,2019-01-12 18:06:31.054000,13.994224804140474,,,{'GGA': {'task_id': 'mp-1764529'}},0.0,9.51025135,520.0,-39.01713406,-9.754283515,{'tags': []},-39.01713406,-9.754283515,-0.4531592174999996,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,4,5,mp-1216633,,URu2Rh,"{'functional': 'PBE', 'labels': ['U', 'Ru_pv', 'Rh_pv'], 'pot_type': 'paw'}","{'U': 1.0, 'Ru': 2.0, 'Rh': 1.0}",GGA,mp-1216633,"['mp-1216633', 'mp-1398250', 'mp-1764529', 'mp-1928363', 'mp-1613125']",7.05e-05,"{'U': 1.0, 'Ru': 2.0, 'Rh': 1.0}",64.44060221248775,[],NM,False,123,0,"[0, 0, 0, 0]",1.0940307442741127e-06,7.05e-05,0,7.05e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1216633.cif,False,,data/final/MP/graphs/Rh1Ru2U1-MP-mp-1216633.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Al0.32La0.68,3,0.1399999999999999,8.0,False,Al2.56La5.44,Al2La6,3.23,Other,True,Al32La68,Al-La,2,Supercon,Al0.32La0.68,MP-mp-1084828,La6Al2,Al-La,Al25La75,P 63/m m c,hexagonal,5.462619,7.265429996073226,7.26543004,data/final/MP/cifs/Al0.32La0.68-MP-mp-1084828-synth_doped.cif,data/source/MP/raw/cifs/mp-1084828.cif,mp-1084828,0.0,,2018-04-25 13:28:11,5.900819389809003,,,{'GGA': {'task_id': 'mp-1699786'}},0.0043635418749996,7.93832938,520.0,-38.71831372,-4.839789215,"{'tags': ['Lanthanum aluminium (3/1)', 'Lanthanum aluminide (3/1)']}",-38.71831372,-4.839789215,-0.2013899287500002,['bandstructure'],True,"[603210, 608280]",True,2021-05-12 10:58:18.470000,NM,8,6,mp-1084828,,La3Al,"{'functional': 'PBE', 'labels': ['La', 'Al'], 'pot_type': 'paw'}","{'La': 3.0, 'Al': 1.0}",GGA,mp-1084828,"['mp-1084828', 'mp-1095107', 'mp-1414408', 'mp-1699786', 'mp-1777076', 'mp-1599938']",0.00020505,"{'La': 6.0, 'Al': 2.0}",249.72049769665185,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",1.6422360350177154e-06,0.00020505,0,0.0004101,MP,data/source/MP/cleaned/cifs/MP-mp-1084828.cif,True,,data/final/MP/graphs/Al0.32La0.68-MP-mp-1084828-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
As1Co0.1Fe0.9Pr1O1,2,0.0499999999999999,2.0,False,As2Co0.2Fe1.8Pr2O2,As2Fe2Pr2O2,14.9,Ferrite,True,As25Co2.5Fe22.5Pr25O25,As-Co-Fe-Pr-O,5,Supercon,Pr1Fe0.9Co0.1As1O1,MP-mp-22491,Pr2Fe2As2O2,As-Fe-Pr-O,As25Fe25Pr25O25,P 4/n m m,tetragonal,4.094889,4.094889,9.258722,data/final/MP/cifs/As1Co0.1Fe0.9Pr1O1-MP-mp-22491-synth_doped.cif,data/source/MP/raw/cifs/mp-22491.cif,mp-22491,0.0,,2014-02-25 19:17:30,6.153806906111091,,,{'GGA+U': {'task_id': 'mp-1695715'}},0.3808778432291664,4.12348168,520.0,-51.7633941,-6.4704242625,{'tags': ['Praseodymium iron arsenic oxide (1/1/1/1)']},-51.7633941,-6.4704242625,-1.491677511249999,"['xas', 'bandstructure']",True,"[162830, 162833, 246832, 90316, 422000, 236649, 236648, 602491]",True,2021-05-12 10:57:10.838000,FM,8,8,mp-22491,oxide,PrFeAsO,"{'functional': 'PBE', 'labels': ['Pr_3', 'Fe_pv', 'As', 'O'], 'pot_type': 'paw'}","{'Pr': 1.0, 'Fe': 1.0, 'As': 1.0, 'O': 1.0}",GGA+U,mp-22491,"['mp-510622', 'mp-1079608', 'mp-1079857', 'mp-22491', 'mp-1476145', 'mp-1695715', 'mp-1778524', 'mp-1596397']",3.7947681,"{'Pr': 2.0, 'Fe': 2.0, 'As': 2.0, 'O': 2.0}",155.25132378854377,[],FM,True,129,1,"[0.0, 0.0, 3.5, 3.5, 0.0, 0.0, 0.0, 0.0]",0.0488854846116297,3.7947681,2,7.5895362,MP,data/source/MP/cleaned/cifs/MP-mp-22491.cif,True,,data/final/MP/graphs/As1Co0.1Fe0.9Pr1O1-MP-mp-22491-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Lu1Mo6S8,1,0.0,1.0,True,Lu1Mo6S8,Lu1Mo6S8,2.2,Chevrel,True,Lu6.667Mo40S53.333,Lu-Mo-S,3,Supercon,Lu1Mo6S8,MP-mp-1104347,Lu1Mo6S8,Lu-Mo-S,Lu6.667Mo40S53.333,R -3,trigonal,6.47657473,6.47657473,6.47657463,data/final/MP/cifs/Lu1Mo6S8-MP-mp-1104347.cif,data/source/MP/raw/cifs/mp-1104347.cif,mp-1104347,0.0,,2018-07-18 21:43:59,6.1560751061838825,,,{'GGA': {'task_id': 'mp-1668996'}},0.0298984714999983,6.2672928,520.0,-115.80118627,-7.720079084666667,"{'tags': ['Lutetium molybdenum sulfide (1/6/8)', 'Lutetium(III) molybdenum(II/III) sulfide  (1/6/8)']}",-115.80118627,-7.720079084666667,-1.1425852423333338,['bandstructure'],True,"[603442, 642439]",True,2021-05-12 10:58:20.361000,NM,15,5,mp-1104347,,Lu(Mo3S4)2,"{'functional': 'PBE', 'labels': ['Lu_3', 'Mo_pv', 'S'], 'pot_type': 'paw'}","{'Lu': 1.0, 'Mo': 6.0, 'S': 8.0}",GGA,mp-1104347,"['mp-1104347', 'mp-1104416', 'mp-1423374', 'mp-1668996', 'mp-1604150']",0.0878234,"{'Lu': 1.0, 'Mo': 6.0, 'S': 8.0}",271.66233349682983,[],NM,False,148,0,"[0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0003232814754608,0.0878234,0,0.0878234,MP,data/source/MP/cleaned/cifs/MP-mp-1104347.cif,False,,data/final/MP/graphs/Lu1Mo6S8-MP-mp-1104347.json,0,True,-3,0,0,0,0,0,0,2,1,0,0,0,1.0,False
Nb3Sn1,1,0.0,2.0,False,Nb6Sn2,Nb6Sn2,16.709,Other,True,Nb75Sn25,Nb-Sn,2,Supercon,Nb3Sn0.05Sn0.95,MP-mp-1326,Nb6Sn2,Nb-Sn,Nb75Sn25,P m -3 n,cubic,5.334611,5.334611,5.334611,data/final/MP/cifs/Nb3Sn1-MP-mp-1326.cif,data/source/MP/raw/cifs/mp-1326.cif,mp-1326,0.0,,2011-05-14 09:51:48,8.694218121896231,10.17188/1189484,"@misc{osti_1189484,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb3Sn (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189484"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668415'}},0.0,6.59372491,520.0,-69.93787048,-8.74223381,{'tags': ['Niobium tin (3/1)']},-69.93787048,-8.74223381,-0.163862066250001,"['xas', 'elasticity', 'bandstructure']",True,"[105230, 645503, 645489, 105231, 645498, 645485, 645474, 645496, 645480, 645488, 645482, 645487, 645500, 645493, 645477, 645484, 645502, 645483, 150878, 645479, 645481, 645486, 645473]",True,2021-05-12 10:56:12.755000,NM,8,9,mp-1326,,Nb3Sn,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Sn_d'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Sn': 1.0}",GGA,mp-1326,"['mp-930046', 'mp-913770', 'mp-930577', 'mp-1326', 'mp-1440651', 'mp-1668415', 'mp-1880085', 'mp-1594093', 'mp-1594507']",0.62023085,"{'Nb': 6.0, 'Sn': 2.0}",151.81275738025872,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0081709977567491,0.62023085,0,1.2404617,MP,data/source/MP/cleaned/cifs/MP-mp-1326.cif,False,,data/final/MP/graphs/Nb3Sn1-MP-mp-1326.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Cu1La2O4.012,2,0.0014668731154754,0.9970029910269194,True,Cu0.997La1.994O4,Cu1La2O4,32.0,Cuprate,True,Cu14.261La28.523O57.21620079863092,Cu-La-O,3,Supercon,La2Cu1O4.012,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La2O4.012-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La2O4.012-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
La0.9Pb3Pr0.1,2,0.0499999999999999,1.0,True,La0.9Pb3Pr0.1,La1Pb3,2.58,Other,True,La22.5Pb75Pr2.5,La-Pb-Pr,3,Supercon,La0.9Pr0.1Pb3,MP-mp-21432,La1Pb3,La-Pb,La25Pb75,P m -3 m,cubic,4.968277,4.968277,4.968277,data/final/MP/cifs/La0.9Pb3Pr0.1-MP-mp-21432-synth_doped.cif,data/source/MP/raw/cifs/mp-21432.cif,mp-21432,0.0,,2014-02-21 08:53:02,10.297552988886016,10.17188/1196890,"@misc{osti_1196890,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaPb3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196890"",
    place = ""United States"",
    year = ""2016"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687535'}},0.0,7.94036935,520.0,-17.86283558,-4.465708895,{'tags': ['Lanthanum lead (1/3)']},-17.86283558,-4.465708895,-0.447221816249999,"['xas', 'elasticity', 'bandstructure']",True,"[641644, 104691, 641647, 641640, 104692, 151360]",True,2021-05-12 10:56:16.728000,NM,4,8,mp-21432,,LaPb3,"{'functional': 'PBE', 'labels': ['La', 'Pb_d'], 'pot_type': 'paw'}","{'La': 1.0, 'Pb': 3.0}",GGA,mp-21432,"['mp-993074', 'mp-991107', 'mp-21432', 'mp-1439281', 'mp-1687535', 'mp-1784789', 'mp-994394', 'mp-1589043']",0.0017048,"{'La': 1.0, 'Pb': 3.0}",122.63583830653424,[],NM,False,221,0,"[0, 0, 0, 0]",1.3901319740961604e-05,0.0017048,0,0.0017048,MP,data/source/MP/cleaned/cifs/MP-mp-21432.cif,True,,data/final/MP/graphs/La0.9Pb3Pr0.1-MP-mp-21432-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Cu1Hg1O4.047,2,0.0058406859699266,0.9882216147763776,True,Ba1.977Cu0.988Hg0.988O4,Ba2Cu1Hg1O4,95.0,Cuprate,True,Ba24.854Cu12.427Hg12.427O50.292034298496326,Ba-Cu-Hg-O,4,Supercon,Hg1Ba2Cu1O4.047,MP-mp-6562,Ba2Cu1Hg1O4,Ba-Cu-Hg-O,Ba25Cu12.5Hg12.5O50,P 4/m m m,tetragonal,3.933714,3.933714,9.827602,data/final/MP/cifs/Ba2Cu1Hg1O4.047-MP-mp-6562-synth_doped.cif,data/source/MP/raw/cifs/mp-6562.cif,mp-6562,0.0,,2011-05-13 18:18:06,6.582036471328142,10.17188/1281336,"@misc{osti_1281336,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2CuHgO4 (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281336"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1697135'}},0.0234340381250053,2.58068675,520.0,-40.91481298,-5.1143516225,"{'tags': ['Mercury dibarium copper oxide', 'High pressure experimental phase']}",-40.91481298,-5.1143516225,-1.953767533125,"['xas', 'bandstructure']",True,"[75722, 75720, 75724, 75721, 75723]",True,2021-05-12 10:57:32.679000,NM,8,8,mp-6562,oxide,Ba2CuHgO4,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Cu_pv', 'Hg', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",GGA,mp-6562,"['mp-6562', 'mp-990899', 'mp-992892', 'mp-1435690', 'mp-1697135', 'mp-1878488', 'mp-994198', 'mp-1592659']",0.0003984,"{'Ba': 2.0, 'Cu': 1.0, 'Hg': 1.0, 'O': 4.0}",152.07335344042525,[],NM,False,123,0,"[0, 0, 0, 0, 0, 0, 0, 0]",2.619788352047311e-06,0.0003984,0,0.0003984,MP,data/source/MP/cleaned/cifs/MP-mp-6562.cif,True,,data/final/MP/graphs/Ba2Cu1Hg1O4.047-MP-mp-6562-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Mo6S8Yb1,1,0.0,1.0,True,Mo6S8Yb1,Mo6S8Yb1,8.45,Heavy_fermionChevrel,False,Mo40S53.333Yb6.667,Mo-S-Yb,3,Supercon,Yb1Mo6S8,MP-mp-2945,Yb1Mo6S8,Mo-S-Yb,Mo40S53.333Yb6.667,R -3,trigonal,6.533714549999999,6.53371455,6.53371466,data/final/MP/cifs/Mo6S8Yb1-MP-mp-2945.cif,data/source/MP/raw/cifs/mp-2945.cif,mp-2945,0.0,,2011-05-15 11:56:21,5.985292650604172,10.17188/1203839,"@misc{osti_1203839,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Yb(Mo3S4)2 (SG:148) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1203839"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698239'}},0.017106931666678,5.74383135,520.0,-113.03784456,-7.535856304,"{'tags': ['Ytterbium molybdenum sulfide (1/6/8)', 'Ytterbium(III) molybdenum(II/III) sulfide (1/6/8)', 'Molybdenum ytterbium sulfide (6/1/8)', 'Ytterbium molybdenum(II/III) sulfide  (1/6/8)', 'Ytterbium molybdenum(II/III) sulfide (1/6/8)']}",-113.03784456,-7.535856304,-1.1571186110000005,"['xas', 'bandstructure']",True,"[46014, 600713, 201506, 603467, 46015, 644318, 46013, 644323, 644324, 600660]",True,2021-05-12 10:57:04.957000,NM,15,11,mp-2945,,Yb(Mo3S4)2,"{'functional': 'PBE', 'labels': ['Yb_2', 'Mo_pv', 'S'], 'pot_type': 'paw'}","{'Yb': 1.0, 'Mo': 6.0, 'S': 8.0}",GGA,mp-2945,"['mp-909509', 'mp-925222', 'mp-2945', 'mp-924664', 'mp-1104445', 'mp-1104913', 'mp-1237395', 'mp-1431957', 'mp-1698239', 'mp-1939172', 'mp-1599795']",0.0014872,"{'Yb': 1.0, 'Mo': 6.0, 'S': 8.0}",278.8792406964142,[],NM,False,148,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.332774129354987e-06,0.0014872,0,0.0014872,MP,data/source/MP/cleaned/cifs/MP-mp-2945.cif,False,,data/final/MP/graphs/Mo6S8Yb1-MP-mp-2945.json,0,True,-3,0,0,0,0,0,0,2,1,0,0,0,1.0,False
Au1.3In1Pd0.7Y1,3,0.15,1.0,True,Au1.3In1Pd0.7Y1,Au1In1Pd1Y1,2.68,Other,True,Au32.5In25Pd17.5Y25,Au-In-Pd-Y,4,Supercon,Au1.3Pd0.7In1Y1,MP-mp-1215995,Y1In1Pd1Au1,Au-In-Pd-Y,Au25In25Pd25Y25,F -4 3 m,cubic,4.8912457,4.891245699999999,4.891245699999999,data/final/MP/cifs/Au1.3In1Pd0.7Y1-MP-mp-1215995-synth_doped.cif,data/source/MP/raw/cifs/mp-1215995.cif,mp-1215995,0.0,,2019-01-12 17:34:56.186000,10.176728600736933,,,{'GGA': {'task_id': 'mp-1765733'}},0.0132657161458329,5.90702848,520.0,-20.66700178,-5.166750445,{'tags': []},-20.66700178,-5.166750445,-0.7487708966666657,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,NM,4,5,mp-1215995,,YInPdAu,"{'functional': 'PBE', 'labels': ['Y_sv', 'In_d', 'Pd', 'Au'], 'pot_type': 'paw'}","{'Y': 1.0, 'In': 1.0, 'Pd': 1.0, 'Au': 1.0}",GGA,mp-1215995,"['mp-1215995', 'mp-1433807', 'mp-1765733', 'mp-1874074', 'mp-1613808']",0.0021391,"{'Y': 1.0, 'In': 1.0, 'Pd': 1.0, 'Au': 1.0}",82.74531972567463,[],NM,False,216,0,"[0, 0, 0, 0]",2.585161320412748e-05,0.0021391,0,0.0021391,MP,data/source/MP/cleaned/cifs/MP-mp-1215995.cif,True,,data/final/MP/graphs/Au1.3In1Pd0.7Y1-MP-mp-1215995-synth_doped.json,0,True,-43m,5,0,0,0,0,0,0,0,0,0,1,1.0,False
La1Tl3,1,0.0,1.0,True,La1Tl3,La1Tl3,1.566666667,Other,True,La25Tl75,La-Tl,2,Supercon,La1Tl3,MP-mp-2001,La1Tl3,La-Tl,La25Tl75,P m -3 m,cubic,4.907746,4.907746,4.907746,data/final/MP/cifs/La1Tl3-MP-mp-2001.cif,data/source/MP/raw/cifs/mp-2001.cif,mp-2001,0.0,,2011-05-13 03:01:14,10.564590817587634,10.17188/1195185,"@misc{osti_1195185,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaTl3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195185"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672173'}},0.0,7.0710754,520.0,-13.48295662,-3.370739155,{'tags': ['Lanthanum thallium (1/3)']},-13.48295662,-3.370739155,-0.3647550187499999,"['xas', 'elasticity', 'bandstructure']",True,"[642070, 642074, 104731, 191075]",True,2021-05-12 10:56:14.760000,NM,4,12,mp-2001,,LaTl3,"{'functional': 'PBE', 'labels': ['La', 'Tl_d'], 'pot_type': 'paw'}","{'La': 1.0, 'Tl': 3.0}",GGA,mp-2001,"['mp-912617', 'mp-929406', 'mp-929013', 'mp-2001', 'mp-1067206', 'mp-1067244', 'mp-1067279', 'mp-1437566', 'mp-1672173', 'mp-1784822', 'mp-1591944', 'mp-1067301']",0.0014032,"{'La': 1.0, 'Tl': 3.0}",118.20782685234924,[],NM,False,221,0,"[0, 0, 0, 0]",1.18706183622909e-05,0.0014032,0,0.0014032,MP,data/source/MP/cleaned/cifs/MP-mp-2001.cif,False,,data/final/MP/graphs/La1Tl3-MP-mp-2001.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Er3Ni1,1,0.0,4.0,False,Er12Ni4,Er12Ni4,0.0,Other,True,Er75Ni25,Er-Ni,2,Supercon,Er3Ni1,MP-mp-1105907,Er12Ni4,Er-Ni,Er75Ni25,P n m a,orthorhombic,6.271036,6.754259,9.455786,data/final/MP/cifs/Er3Ni1-MP-mp-1105907.cif,data/source/MP/raw/cifs/mp-1105907.cif,mp-1105907,0.0,,2018-07-19 06:51:15,9.294951566087864,,,,0.0,3.65402613,520.0,-82.18238895,-5.136399309375,"{'tags': ['Fe3C', 'Erbium nickel (3/1)', 'Er3Ni']}",-82.18238895,-5.136399309375,-0.2655760318750007,[],False,"[659049, 630815]",True,2021-05-12 10:59:33.162000,NM,16,4,mp-1105907,,Er3Ni,"{'functional': 'PBE', 'labels': ['Er_3', 'Ni_pv'], 'pot_type': 'paw'}","{'Er': 3.0, 'Ni': 1.0}",GGA,mp-1105907,"['mp-1105907', 'mp-1188964', 'mp-1836224', 'mp-1983800']",0.00048205,"{'Er': 12.0, 'Ni': 4.0}",400.5111756659285,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.8143475567042265e-06,0.00048205,0,0.0019282,MP,data/source/MP/cleaned/cifs/MP-mp-1105907.cif,False,,data/final/MP/graphs/Er3Ni1-MP-mp-1105907.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Al1Nb2.97Zr0.03,2,0.0149999999999999,2.0,False,Al2Nb5.94Zr0.06,Al2Nb6,17.4,Other,True,Al25Nb74.25Zr0.75,Al-Nb-Zr,3,Supercon,Nb2.97Zr0.03Al1,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al1Nb2.97Zr0.03-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al1Nb2.97Zr0.03-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Na0.28Pb0.72,3,0.06,4.0,False,Na1.12Pb2.88,Na1Pb3,7.2,Other,True,Na28Pb72,Na-Pb,2,Supercon,Na0.28Pb0.72,MP-mp-20555,Na1Pb3,Na-Pb,Na25Pb75,P m -3 m,cubic,4.946585,4.946585,4.946585,data/final/MP/cifs/Na0.28Pb0.72-MP-mp-20555-synth_doped.cif,data/source/MP/raw/cifs/mp-20555.cif,mp-20555,0.0,,2014-02-21 10:43:04,8.843334999549363,10.17188/1195705,"@misc{osti_1195705,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NaPb3 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195705"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1695207'}},0.0,5.5226126,520.0,-12.97603743,-3.2440093575,{'tags': ['Sodium lead (1/3)']},-12.97603743,-3.2440093575,-0.1288927316379307,"['xas', 'elasticity', 'bandstructure']",True,"[644932, 105157]",True,2021-05-12 10:56:14.760000,NM,4,9,mp-20555,,NaPb3,"{'functional': 'PBE', 'labels': ['Na_pv', 'Pb_d'], 'pot_type': 'paw'}","{'Na': 1.0, 'Pb': 3.0}",GGA,mp-20555,"['mp-991524', 'mp-993472', 'mp-20555', 'mp-1141157', 'mp-1441090', 'mp-1695207', 'mp-1925117', 'mp-994781', 'mp-1590680']",0.0176396,"{'Na': 1.0, 'Pb': 3.0}",121.03652003171472,[],NM,False,221,0,"[0, 0, 0, 0]",0.0001457378318161,0.0176396,0,0.0176396,MP,data/source/MP/cleaned/cifs/MP-mp-20555.cif,True,,data/final/MP/graphs/Na0.28Pb0.72-MP-mp-20555-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Al2Th1,1,0.0,1.0,True,Al2Th1,Al2Th1,0.0,Other,True,Al66.667Th33.333,Al-Th,2,Supercon,Al2Th1,MP-mp-669,Th1Al2,Al-Th,Al66.667Th33.333,P 6/m m m,hexagonal,4.170177,4.414229995557969,4.41422972,data/final/MP/cifs/Al2Th1-MP-mp-669.cif,data/source/MP/raw/cifs/mp-669.cif,mp-669,0.0,,2011-05-12 18:13:00,6.748726951235229,10.17188/1281560,"@misc{osti_1281560,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ThAl2 (SG:191) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281560"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668313'}},0.0,6.77668653,520.0,-16.25004021,-5.416680070000001,"{'tags': ['Aluminium thorium (2/1)', 'Aluminium thorium (2:1)']}",-16.25004021,-5.416680070000001,-0.4483434333333337,"['xas', 'elasticity', 'bandstructure']",True,"[609505, 15447, 609496, 58181, 609514]",True,2021-05-12 10:56:27.046000,NM,3,10,mp-669,,ThAl2,"{'functional': 'PBE', 'labels': ['Th', 'Al'], 'pot_type': 'paw'}","{'Th': 1.0, 'Al': 2.0}",GGA,mp-669,"['mp-908776', 'mp-923765', 'mp-669', 'mp-924338', 'mp-1252956', 'mp-1262176', 'mp-1440366', 'mp-1668313', 'mp-1801963', 'mp-1594844']",0.0020125,"{'Th': 1.0, 'Al': 2.0}",70.37120702085925,[],NM,False,191,0,"[0, 0, 0]",2.859834419784018e-05,0.0020125,0,0.0020125,MP,data/source/MP/cleaned/cifs/MP-mp-669.cif,False,,data/final/MP/graphs/Al2Th1-MP-mp-669.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Nd0.1Os4Pr0.9Sb12,2,0.0117647058823529,1.0,True,Nd0.1Os4Pr0.9Sb12,Os4Pr1Sb12,1.73,Heavy_fermion,True,Nd0.588Os23.529Pr5.294Sb70.588,Nd-Os-Pr-Sb,4,Supercon,Pr0.9Nd0.1Os4Sb12,MP-mp-4251,Pr1Sb12Os4,Os-Pr-Sb,Os23.529Pr5.882Sb70.588,I m -3,cubic,8.16020751180899,8.16020751,8.16020751,data/final/MP/cifs/Nd0.1Os4Pr0.9Sb12-MP-mp-4251-synth_doped.cif,data/source/MP/raw/cifs/mp-4251.cif,mp-4251,0.0,,2011-05-15 09:44:04,9.380402650313032,10.17188/1208003,"@misc{osti_1208003,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Pr(Sb3Os)4 (SG:204) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208003"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700242'}},0.0086126564705901,7.28147826,520.0,-102.089288,-6.005252235294117,{'tags': ['Praseodymium osmium antimonide (1/4/12)']},-102.089288,-6.005252235294117,-0.1677005267647063,"['xas', 'elasticity', 'bandstructure']",True,"[155178, 155187, 165911, 155182, 155185, 155181, 647731, 155183, 155188, 155180, 155179, 165910, 155184, 155186, 183087]",True,2021-05-12 10:56:20.740000,NM,17,9,mp-4251,,Pr(Sb3Os)4,"{'functional': 'PBE', 'labels': ['Pr_3', 'Sb', 'Os_pv'], 'pot_type': 'paw'}","{'Pr': 1.0, 'Sb': 12.0, 'Os': 4.0}",GGA,mp-4251,"['mp-1000443', 'mp-1006919', 'mp-4251', 'mp-1188290', 'mp-1430112', 'mp-1700242', 'mp-1817791', 'mp-1011635', 'mp-1609307']",0.0526026,"{'Pr': 1.0, 'Sb': 12.0, 'Os': 4.0}",418.2940787754696,[],NM,False,204,0,"[-0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.000125755067234,0.0526026,0,0.0526026,MP,data/source/MP/cleaned/cifs/MP-mp-4251.cif,True,,data/final/MP/graphs/Nd0.1Os4Pr0.9Sb12-MP-mp-4251-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,0,0,1,0,1.0,False
Bi1K3,1,0.0,6.0,False,Bi6K18,Bi6K18,0.0,Other,True,Bi25K75,Bi-K,2,Supercon,Bi1K3,MP-mp-31286,K18Bi6,Bi-K,Bi25K75,P 63 c m,hexagonal,10.810900002681342,10.81089997,11.090687,data/final/MP/cifs/Bi1K3-MP-mp-31286.cif,data/source/MP/raw/cifs/mp-31286.cif,mp-31286,0.0249999999999999,,2013-10-03 05:30:54,2.895821354317156,10.17188/1205560,"@misc{osti_1205560,
    author = ""Persson, Kristin"",
    title = ""Materials Data on K3Bi (SG:185) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1205560"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-699841'}},0.0,0.53117158,520.0,-52.09010168,-2.170420903333333,{'tags': ['Tripotassium bismuth - alpha']},-52.09010168,-2.170420903333333,-0.3651131155833331,"['xas', 'bandstructure']",True,[409223],True,2021-05-12 10:57:04.957000,NM,24,6,mp-31286,,K3Bi,"{'functional': 'PBE', 'labels': ['K_sv', 'Bi'], 'pot_type': 'paw'}","{'K': 3.0, 'Bi': 1.0}",GGA,mp-31286,"['mp-699841', 'mp-31286', 'mp-712216', 'mp-678606', 'mp-1375606', 'mp-1849725']",0.0002670166666666,"{'K': 18.0, 'Bi': 6.0}",1122.568313081022,[],NM,False,185,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.4271737241565692e-06,0.0002670166666666,0,0.0016021,MP,data/source/MP/cleaned/cifs/MP-mp-31286.cif,False,,data/final/MP/graphs/Bi1K3-MP-mp-31286.json,0,True,6mm,0,5,0,0,0,0,0,1,0,0,0,1.0,False
Ba2Cu3La0.9Pr0.1O7,2,0.0153846153846153,1.0,True,Ba2Cu3La0.9Pr0.1O7,Ba2Cu3La1O7,68.3,Cuprate,True,Ba15.385Cu23.077La6.923Pr0.769O53.84615384615385,Ba-Cu-La-Pr-O,5,Supercon,La0.9Pr0.1Ba2Cu3O7,MP-mp-622210,Ba2La1Cu3O7,Ba-Cu-La-O,Ba15.385Cu23.077La7.692O53.84615384615385,P m m m,orthorhombic,3.912033,3.978575,11.900925,data/final/MP/cifs/Ba2Cu3La0.9Pr0.1O7-MP-mp-622210-synth_doped.cif,data/source/MP/raw/cifs/mp-622210.cif,mp-622210,0.0,,2014-02-16 07:47:08,6.420495647479224,10.17188/1278110,"@misc{osti_1278110,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba2LaCu3O7 (SG:47) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278110"",
    place = ""United States"",
    year = ""2016"",
    month = ""4"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1676618'}},0.0206010060576886,3.9422618,520.0,-79.09444788,-6.084188298461539,{'tags': ['Lanthanum dibarium tricopper heptaoxide']},-79.09444788,-6.084188298461539,-2.1689347746153844,['bandstructure'],True,[81167],True,2021-05-12 10:58:51.532000,NM,13,10,mp-622210,oxide,Ba2LaCu3O7,"{'functional': 'PBE', 'labels': ['Ba_sv', 'La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 2.0, 'La': 1.0, 'Cu': 3.0, 'O': 7.0}",GGA,mp-622210,"['mp-932742', 'mp-931665', 'mp-916330', 'mp-622210', 'mp-1228591', 'mp-1236979', 'mp-1381031', 'mp-1676618', 'mp-1832760', 'mp-1598015']",6.1e-06,"{'Ba': 2.0, 'La': 1.0, 'Cu': 3.0, 'O': 7.0}",185.22976563934355,[],NM,False,47,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.293207211565103e-08,6.1e-06,0,6.1e-06,MP,data/source/MP/cleaned/cifs/MP-mp-622210.cif,True,,data/final/MP/graphs/Ba2Cu3La0.9Pr0.1O7-MP-mp-622210-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
As1Rh1,1,0.0,4.0,False,As4Rh4,As4Rh4,0.58,Other,True,As50Rh50,As-Rh,2,Supercon,As1Rh1,MP-mp-22079,As4Rh4,As-Rh,As50Rh50,P n m a,orthorhombic,3.642531,5.724228,6.159774,data/final/MP/cifs/As1Rh1-MP-mp-22079.cif,data/source/MP/raw/cifs/mp-22079.cif,mp-22079,0.0,,2014-02-21 15:42:27,9.196489435765423,10.17188/1197338,"@misc{osti_1197338,
    author = ""Persson, Kristin"",
    title = ""Materials Data on AsRh (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197338"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702303'}},0.0038164358333334,7.24510908,520.0,-51.90937403,-6.48867175375,"{'tags': ['Rhodium arsenide (1/1)', 'Cherepanovite', 'Rhodium(III) arsenide']}",-51.90937403,-6.48867175375,-0.4769586162500001,"['xas', 'elasticity', 'bandstructure']",True,"[42572, 611269, 657339]",True,2021-05-12 10:56:16.728000,NM,8,8,mp-22079,,AsRh,"{'functional': 'PBE', 'labels': ['As', 'Rh_pv'], 'pot_type': 'paw'}","{'As': 1.0, 'Rh': 1.0}",GGA,mp-22079,"['mp-909852', 'mp-924883', 'mp-925612', 'mp-22079', 'mp-1419135', 'mp-1702303', 'mp-1927982', 'mp-1587134']",1.4925e-05,"{'As': 4.0, 'Rh': 4.0}",128.4354638637642,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0]",4.6482488717700114e-07,1.4925e-05,0,5.97e-05,MP,data/source/MP/cleaned/cifs/MP-mp-22079.cif,False,,data/final/MP/graphs/As1Rh1-MP-mp-22079.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
B4Ho0.901Lu0.099Rh4,2,0.022,2.0,False,B8Ho1.802Lu0.198Rh8,B8Ho2Rh8,0.0,Other,True,B44.444Ho10.011Lu1.1Rh44.444,B-Ho-Lu-Rh,4,Supercon,Lu0.099Ho0.901Rh4B4,MP-mp-1189784,Ho2B8Rh8,B-Ho-Rh,B44.444Ho11.111Rh44.444,P 42/n m c,tetragonal,5.334437,5.334437,7.442515,data/final/MP/cifs/B4Ho0.901Lu0.099Rh4-MP-mp-1189784-synth_doped.cif,data/source/MP/raw/cifs/mp-1189784.cif,mp-1189784,0.0,,2019-01-11 20:27:24.618000,9.719214946416653,,,{'GGA': {'task_id': 'mp-1671459'}},0.0130335600000011,6.87149626,520.0,-131.93964083,-7.329980046111111,{'tags': ['Holmium rhodium boride (1/4/4)']},-131.93964083,-7.329980046111111,-0.5791792201851851,['bandstructure'],True,[601533],True,2021-05-12 10:58:33.577000,NM,18,5,mp-1189784,,Ho(BRh)4,"{'functional': 'PBE', 'labels': ['Ho_3', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Ho': 1.0, 'B': 4.0, 'Rh': 4.0}",GGA,mp-1189784,"['mp-1189784', 'mp-1430146', 'mp-1671459', 'mp-1786743', 'mp-1604112']",0.00025395,"{'Ho': 2.0, 'B': 8.0, 'Rh': 8.0}",211.7858301043884,[],NM,False,137,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.39817744062319e-06,0.00025395,0,0.0005079,MP,data/source/MP/cleaned/cifs/MP-mp-1189784.cif,True,,data/final/MP/graphs/B4Ho0.901Lu0.099Rh4-MP-mp-1189784-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
La0.1Sr0.9Ti1O3,1,0.0,20.0,False,La2Sr18Ti20O60,La2Sr18Ti20O60,0.0,Oxide,True,La2Sr18Ti20O60,La-Sr-Ti-O,4,Supercon,La0.1Sr0.9Ti1O3,MP-mp-695042,Sr18La2Ti20O60,La-Sr-Ti-O,La2Sr18Ti20O60,P -1,triclinic,9.66032,11.1648509,12.47456093,data/final/MP/cifs/La0.1Sr0.9Ti1O3-MP-mp-695042.cif,data/source/MP/raw/cifs/mp-695042.cif,mp-695042,0.0,,2014-05-03 15:04:35,5.096876578831617,10.17188/1284774,"@misc{osti_1284774,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr9LaTi10O30 (SG:2) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1284774"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",,0.0,5.64280076,520.0,-811.35927486,-8.1135927486,{'tags': []},-811.35927486,-8.1135927486,-3.5750887785666667,[],False,[],True,2021-05-12 11:01:44.406000,NM,100,3,mp-695042,oxide,Sr9LaTi10O30,"{'functional': 'PBE', 'labels': ['Sr_sv', 'La', 'Ti_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 9.0, 'La': 1.0, 'Ti': 10.0, 'O': 30.0}",GGA,mp-695042,"['mp-695042', 'mp-1338008', 'mp-1848659']",0.01071805,"{'Sr': 18.0, 'La': 2.0, 'Ti': 20.0, 'O': 60.0}",1228.9899139096087,[],NM,False,2,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.7442047129425515e-05,0.01071805,0,0.0214361,MP,data/source/MP/cleaned/cifs/MP-mp-695042.cif,False,,data/final/MP/graphs/La0.1Sr0.9Ti1O3-MP-mp-695042.json,0,True,-1,0,0,0,0,0,2,0,1,0,0,0,1.0,False
Ce1Ni1Sb2,1,0.0,2.0,False,Ce2Ni2Sb4,Ce2Ni2Sb4,0.0,Ferrite,True,Ce25Ni25Sb50,Ce-Ni-Sb,3,Supercon,Ce1Ni1Sb2,MP-mp-22539,Ce2Ni2Sb4,Ce-Ni-Sb,Ce25Ni25Sb50,P 4/n m m,tetragonal,4.390703,4.390703,9.506769,data/final/MP/cifs/Ce1Ni1Sb2-MP-mp-22539.cif,data/source/MP/raw/cifs/mp-22539.cif,mp-22539,0.0,,2014-02-21 15:21:06,8.015374817215342,10.17188/1198773,"@misc{osti_1198773,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeNiSb2 (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198773"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701440'}},0.0,8.47155777,520.0,-45.70556193,-5.71319524125,"{'tags': ['Cerium(II) nickel antimonide', 'Cerium nickel antimonide (1/1/2)']}",-45.70556193,-5.71319524125,-0.8163881625000009,"['xas', 'bandstructure']",True,"[621640, 84529, 658103]",True,2021-05-12 10:56:59.077000,NM,8,6,mp-22539,,CeNiSb2,"{'functional': 'PBE', 'labels': ['Ce', 'Ni_pv', 'Sb'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Ni': 1.0, 'Sb': 2.0}",GGA,mp-22539,"['mp-22539', 'mp-1080720', 'mp-1417937', 'mp-1701440', 'mp-1830956', 'mp-1592640']",0.00405465,"{'Ce': 2.0, 'Ni': 2.0, 'Sb': 4.0}",183.2740865538003,[],NM,False,129,0,"[-0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",4.424684445293638e-05,0.00405465,0,0.0081093,MP,data/source/MP/cleaned/cifs/MP-mp-22539.cif,False,,data/final/MP/graphs/Ce1Ni1Sb2-MP-mp-22539.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Co0.9Ga0.1Zr2,3,0.0666666666666666,2.0,False,Co1.8Ga0.2Zr4,Co2Zr4,5.72,Other,True,Co30Ga3.333Zr66.667,Co-Ga-Zr,3,Supercon,Zr2Co0.9Ga0.1,MP-mp-628,Zr4Co2,Co-Zr,Co33.333Zr66.667,I 4/m c m,tetragonal,5.27792884001752,5.27792884,5.277928840000001,data/final/MP/cifs/Co0.9Ga0.1Zr2-MP-mp-628-synth_doped.cif,data/source/MP/raw/cifs/mp-628.cif,mp-628,0.0,,2011-05-13 12:16:44,7.17077101131263,10.17188/1278899,"@misc{osti_1278899,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Zr2Co (SG:140) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1278899"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1677545'}},0.0,4.51380976,520.0,-49.95120762,-8.325201269999999,"{'tags': ['Cobalt zirconium (1/2)', 'Zirconium cobalt (2/1)']}",-49.95120762,-8.325201269999999,-0.2572949183333328,"['xas', 'elasticity', 'bandstructure']",True,"[625671, 191386, 625688, 102740, 625665]",True,2021-05-12 10:56:27.046000,NM,6,20,mp-628,,Zr2Co,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Co'], 'pot_type': 'paw'}","{'Zr': 2.0, 'Co': 1.0}",GGA,mp-628,"['mp-928347', 'mp-912327', 'mp-928866', 'mp-628', 'mp-1071352', 'mp-1071381', 'mp-1071431', 'mp-1071762', 'mp-1071803', 'mp-1071859', 'mp-1071883', 'mp-1071742', 'mp-1071925', 'mp-1441633', 'mp-1677545', 'mp-1802810', 'mp-1591799', 'mp-1071792', 'mp-1071416', 'mp-1071915']",0.0001226,"{'Zr': 4.0, 'Co': 2.0}",111.79353060019714,[],NM,False,140,0,"[0, 0, 0, 0, 0, 0]",2.1933290654975308e-06,0.0001226,0,0.0002452,MP,data/source/MP/cleaned/cifs/MP-mp-628.cif,True,,data/final/MP/graphs/Co0.9Ga0.1Zr2-MP-mp-628-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Bi2Ca1Cu2Sr2O8.214,2,0.013128259059638,1.9479787679571463,False,Bi3.896Ca1.948Cu3.896Sr3.896O16,Bi4Ca2Cu4Sr4O16,70.0,Cuprate,True,Bi13.146Ca6.573Cu13.146Sr13.146O53.98974628631524,Bi-Ca-Cu-Sr-O,5,Supercon,Bi2Sr2Ca1Cu2O8.214,MP-mp-1218930,Sr4Ca2Cu4Bi4O16,Bi-Ca-Cu-Sr-O,Bi13.333Ca6.667Cu13.333Sr13.333O53.333333333333336,C c c 2,orthorhombic,5.417115,5.472898000129128,16.11398919,data/final/MP/cifs/Bi2Ca1Cu2Sr2O8.214-MP-mp-1218930-synth_doped.cif,data/source/MP/raw/cifs/mp-1218930.cif,mp-1218930,0.0,,2019-01-12 20:01:06.544000,6.266668983881059,,,,0.039252223722225,4.51768334,520.0,-173.15021002,-5.771673667333333,{'tags': []},-173.15021002,-5.771673667333333,-2.074956548222222,[],False,[],True,2021-05-12 11:00:42.526000,NM,30,3,mp-1218930,oxide,Sr2CaCu2(BiO4)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Cu_pv', 'Bi', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'O': 8.0}",GGA,mp-1218930,"['mp-1218930', 'mp-1359698', 'mp-1817714']",0.00011165,"{'Sr': 4.0, 'Ca': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'O': 16.0}",470.7976286073367,[],NM,False,37,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.743014544498498e-07,0.00011165,0,0.0002233,MP,data/source/MP/cleaned/cifs/MP-mp-1218930.cif,True,,data/final/MP/graphs/Bi2Ca1Cu2Sr2O8.214-MP-mp-1218930-synth_doped.json,0,True,mm2,0,0,0,6,0,0,0,0,1,0,0,1.0,False
Ir0.96Pd0.04Te2,2,0.0266666666666666,4.0,False,Ir3.84Pd0.16Te8,Ir4Te8,2.99,Other,True,Ir32Pd1.333Te66.667,Ir-Pd-Te,3,Supercon,Pd0.04Ir0.96Te2,MP-mp-569322,Te8Ir4,Ir-Te,Ir33.333Te66.667,P n m a,orthorhombic,4.049805,5.441863,13.587474,data/final/MP/cifs/Ir0.96Pd0.04Te2-MP-mp-569322-synth_doped.cif,data/source/MP/raw/cifs/mp-569322.cif,mp-569322,0.0,,2014-02-16 04:48:25,9.924328423353325,10.17188/1275037,"@misc{osti_1275037,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Te2Ir (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1275037"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1746248'}},0.0123894575000003,7.60847828,520.0,-63.94410921,-5.3286757675,{'tags': ['Iridium telluride (1/2)']},-63.94410921,-5.3286757675,-0.5683316741666667,"['xas', 'bandstructure']",True,[93894],True,2021-05-12 10:57:24.969000,NM,12,7,mp-569322,,Te2Ir,"{'functional': 'PBE', 'labels': ['Te', 'Ir'], 'pot_type': 'paw'}","{'Te': 2.0, 'Ir': 1.0}",GGA,mp-569322,"['mp-927873', 'mp-927408', 'mp-569322', 'mp-911451', 'mp-1392626', 'mp-1746248', 'mp-1810340']",0.000153075,"{'Te': 8.0, 'Ir': 4.0}",299.44732816890644,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",2.0447669503153013e-06,0.000153075,0,0.0006123,MP,data/source/MP/cleaned/cifs/MP-mp-569322.cif,True,,data/final/MP/graphs/Ir0.96Pd0.04Te2-MP-mp-569322-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
As1Cu1,1,0.0,2.0,False,As2Cu2,As2Cu2,0.0,Other,True,As50Cu50,As-Cu,2,Supercon,As1Cu1,MP-mp-12070,Cu2As2,As-Cu,As50Cu50,P 63/m m c,hexagonal,3.8750199983368616,3.8750193400000006,4.969517,data/final/MP/cifs/As1Cu1-MP-mp-12070.cif,data/source/MP/raw/cifs/mp-12070.cif,mp-12070,0.0,,2011-05-28 01:54:46,7.115978828942523,10.17188/1188549,"@misc{osti_1188549,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CuAs (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1188549"",
    place = ""United States"",
    year = ""2015"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1764101'}},0.0539966600000001,6.23605524,520.0,-17.30066351,-4.3251658775,{'tags': ['Copper arsenide (1/1)']},-17.30066351,-4.3251658775,0.0539966600000001,"['xas', 'elasticity', 'bandstructure']",True,[610308],True,2021-05-12 10:56:12.755000,NM,4,8,mp-12070,,CuAs,"{'functional': 'PBE', 'labels': ['Cu_pv', 'As'], 'pot_type': 'paw'}","{'Cu': 1.0, 'As': 1.0}",GGA,mp-12070,"['mp-944350', 'mp-933470', 'mp-943703', 'mp-12070', 'mp-1388462', 'mp-1764101', 'mp-1794635', 'mp-1612019']",9.61e-05,"{'Cu': 2.0, 'As': 2.0}",64.62381768848272,[],NM,False,194,0,"[0, 0, 0, 0]",2.9741356495912185e-06,9.61e-05,0,0.0001922,MP,data/source/MP/cleaned/cifs/MP-mp-12070.cif,False,,data/final/MP/graphs/As1Cu1-MP-mp-12070.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Ge2Ta1,1,0.0,3.0,False,Ge6Ta3,Ge6Ta3,1.15,Other,True,Ge66.667Ta33.333,Ge-Ta,2,Supercon,Ge2Ta1,MP-mp-7558,Ta3Ge6,Ge-Ta,Ge66.667Ta33.333,P 62 2 2,hexagonal,5.00924000101466,5.00923992,6.807668,data/final/MP/cifs/Ge2Ta1-MP-mp-7558.cif,data/source/MP/raw/cifs/mp-7558.cif,mp-7558,0.0,,2011-06-03 11:04:59,10.985472880323936,10.17188/1290229,"@misc{osti_1290229,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TaGe2 (SG:180) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1290229"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703404'}},0.0,6.0460238,520.0,-65.30928394,-7.256587104444445,{'tags': ['Tantalum germanide (1/2)']},-65.30928394,-7.256587104444445,-0.2219759911111115,"['bandstructure', 'elasticity']",True,"[637963, 16504, 637957]",True,2021-05-12 10:56:29.056000,NM,9,8,mp-7558,,TaGe2,"{'functional': 'PBE', 'labels': ['Ta_pv', 'Ge_d'], 'pot_type': 'paw'}","{'Ta': 1.0, 'Ge': 2.0}",GGA,mp-7558,"['mp-1007182', 'mp-1000726', 'mp-7558', 'mp-1475821', 'mp-1703404', 'mp-1784653', 'mp-1011928', 'mp-1589948']",7.450000000000001e-05,"{'Ta': 3.0, 'Ge': 6.0}",147.9355905536921,[],NM,False,180,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0]",1.5107926305190393e-06,7.450000000000001e-05,0,0.0002235,MP,data/source/MP/cleaned/cifs/MP-mp-7558.cif,False,,data/final/MP/graphs/Ge2Ta1-MP-mp-7558.json,0,True,622,0,4,0,0,0,0,0,1,0,0,0,1.0,False
C0.754Ta1,3,0.1402508551881414,1.0,True,C0.754Ta1,C1Ta1,0.0,Other,True,C42.987Ta57.013,C-Ta,2,Supercon,C0.754Ta1,MP-mp-1086,Ta1C1,C-Ta,C50Ta50,F m -3 m,cubic,3.16930633,3.1693063299999995,3.1693063299999995,data/final/MP/cifs/C0.754Ta1-MP-mp-1086-synth_doped.cif,data/source/MP/raw/cifs/mp-1086.cif,mp-1086,0.0,,2011-05-12 17:28:32,14.234280973849424,10.17188/1187404,"@misc{osti_1187404,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TaC (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1187404"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686613'}},0.0,8.2505789,520.0,-22.23710222,-11.11855111,"{'tags': ['Tantalum carbide (1/1)', 'Tantalum(IV) carbide']}",-22.23710222,-11.11855111,-0.5762719450000002,"['xas', 'elasticity', 'bandstructure']",True,"[618845, 618833, 53974, 618820, 618830, 159875, 618843, 618846, 618823, 618841, 77406, 618844, 618825, 159878, 159877, 618828, 618831, 618848, 44497, 618838, 26956, 155163, 43525, 618839, 618835, 185979, 38239, 618829, 618837, 618832, 159879, 159876, 180601, 601144, 618847, 618818, 618836]",True,2021-05-12 10:56:10.715000,NM,2,14,mp-1086,,TaC,"{'functional': 'PBE', 'labels': ['Ta_pv', 'C'], 'pot_type': 'paw'}","{'Ta': 1.0, 'C': 1.0}",GGA,mp-1086,"['mp-992237', 'mp-990522', 'mp-1086', 'mp-1059363', 'mp-1059373', 'mp-1059393', 'mp-1237232', 'mp-1440573', 'mp-1686613', 'mp-1792077', 'mp-993854', 'mp-1596236', 'mp-1595188', 'mp-1059385']",0.0001919,"{'Ta': 1.0, 'C': 1.0}",22.51011209588414,[],NM,False,225,0,"[0, 0]",8.525057502271965e-06,0.0001919,0,0.0001919,MP,data/source/MP/cleaned/cifs/MP-mp-1086.cif,True,,data/final/MP/graphs/C0.754Ta1-MP-mp-1086-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
As2Ba1Ni2,1,0.0,1.0,True,As2Ba1Ni2,As2Ba1Ni2,0.783333333,Ferrite,True,As40Ba20Ni40,As-Ba-Ni,3,Supercon,Ba1Ni2As2,MP-mp-568280,Ba1Ni2As2,As-Ba-Ni,As40Ba20Ni40,I 4/m m m,tetragonal,4.156554001148825,4.156554001148825,6.57789079,data/final/MP/cifs/As2Ba1Ni2-MP-mp-568280.cif,data/source/MP/raw/cifs/mp-568280.cif,mp-568280,0.0,,2014-02-16 06:02:25,6.607461026403792,10.17188/1274340,"@misc{osti_1274340,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba(NiAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1274340"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698065'}},0.0,5.18272169,520.0,-26.07345637,-5.214691274,"{'tags': ['Barium nickel arsenide (1/2/2)', 'Barium dinickel diarsenide']}",-26.07345637,-5.214691274,-0.6551950740000002,"['xas', 'elasticity', 'bandstructure']",True,"[185463, 609856, 164197]",True,2021-05-12 10:56:22.739000,NM,5,10,mp-568280,,Ba(NiAs)2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ni_pv', 'As'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Ni': 2.0, 'As': 2.0}",GGA,mp-568280,"['mp-568280', 'mp-1069503', 'mp-1069542', 'mp-1069572', 'mp-1441346', 'mp-1698065', 'mp-1795849', 'mp-1923070', 'mp-1595137', 'mp-1069566']",0.0042893,"{'Ba': 1.0, 'Ni': 2.0, 'As': 2.0}",101.67032396892152,[],NM,False,139,0,"[0, 0, 0, 0, 0]",4.218831840558656e-05,0.0042893,0,0.0042893,MP,data/source/MP/cleaned/cifs/MP-mp-568280.cif,False,,data/final/MP/graphs/As2Ba1Ni2-MP-mp-568280.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
As2Eu1Fe1.78Ir0.22,3,0.088,1.0,True,As2Eu1Fe1.78Ir0.22,As2Eu1Fe2,21.0,Ferrite,True,As40Eu20Fe35.6Ir4.4,As-Eu-Fe-Ir,4,Supercon,Eu1Fe1.78Ir0.22As2,MP-mp-20890,Eu1Fe2As2,As-Eu-Fe,As40Eu20Fe40,I 4/m m m,tetragonal,3.9736679999368567,3.9736679999368567,6.07120609,data/final/MP/cifs/As2Eu1Fe1.78Ir0.22-MP-mp-20890-synth_doped.cif,data/source/MP/raw/cifs/mp-20890.cif,mp-20890,0.0,,2014-02-21 09:03:25,8.079887417044961,10.17188/1196086,"@misc{osti_1196086,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Eu(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196086"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687595'}},0.0,5.69045342,520.0,-39.43180547,-7.886361094,"{'tags': ['High pressure experimental phase', 'Europium diiron diarsenide - HP', 'Europium diiron diarsenide', 'Europium iron arsenide (1/2/2)']}",-39.43180547,-7.886361094,-0.5763016570000005,"['xas', 'bandstructure']",True,"[169689, 169687, 185355, 169691, 163211, 185356, 610431, 169690, 169688, 163210]",True,2021-05-12 10:56:57.051000,FM,5,16,mp-20890,,Eu(FeAs)2,"{'functional': 'PBE', 'labels': ['Eu', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Eu': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-20890,"['mp-991161', 'mp-993140', 'mp-20890', 'mp-1069324', 'mp-1069480', 'mp-1069596', 'mp-1069907', 'mp-1070115', 'mp-1069978', 'mp-1442076', 'mp-1687595', 'mp-1782260', 'mp-994461', 'mp-1594012', 'mp-1069557', 'mp-1070074']",6.9579645,"{'Eu': 1.0, 'Fe': 2.0, 'As': 2.0}",84.97992844321493,[],FM,True,139,1,"[6.7, -0.0, -0.0, 0.0, 0.0]",0.0818777401613068,6.9579645,1,6.9579645,MP,data/source/MP/cleaned/cifs/MP-mp-20890.cif,True,,data/final/MP/graphs/As2Eu1Fe1.78Ir0.22-MP-mp-20890-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Al1Sb1,1,0.0,1.0,True,Al1Sb1,Al1Sb1,2.8,Other,True,Al50Sb50,Al-Sb,2,Supercon,Al1Sb1,MP-mp-2624,Al1Sb1,Al-Sb,Al50Sb50,F -4 3 m,cubic,4.40793397,4.40793397,4.40793397,data/final/MP/cifs/Al1Sb1-MP-mp-2624.cif,data/source/MP/raw/cifs/mp-2624.cif,mp-2624,1.2605000000000004,,2011-05-12 17:08:49,4.078412269278146,10.17188/1201130,"@misc{osti_1201130,
    author = ""Persson, Kristin"",
    title = ""Materials Data on AlSb (SG:216) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201130"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686660'}},0.0,4.39622772,520.0,-8.19357063,-4.096785315,"{'tags': ['Aluminium antimonide', 'Aluminium antimonide (1/1)', 'Aluminum antimonide']}",-8.19357063,-4.096785315,-0.2554967800000001,"['piezo', 'eos', 'xas', 'bandstructure', 'diel', 'phonons', 'elasticity']",True,"[151218, 52651, 609288, 44325, 24804, 58160, 609287, 609290, 44978, 190410]",True,2021-05-12 10:56:18.721000,NM,2,15,mp-2624,,AlSb,"{'functional': 'PBE', 'labels': ['Al', 'Sb'], 'pot_type': 'paw'}","{'Al': 1.0, 'Sb': 1.0}",GGA,mp-2624,"['mp-655653', 'mp-654778', 'mp-656214', 'mp-2624', 'mp-1061445', 'mp-1061468', 'mp-1061487', 'mp-1140873', 'mp-1114982', 'mp-1440975', 'mp-1686660', 'mp-1792152', 'mp-1589022', 'mp-1596962', 'mp-1061489']",0.0003228,"{'Al': 1.0, 'Sb': 1.0}",60.56061019922535,[],NM,False,216,0,"[0, 0]",5.330197283978638e-06,0.0003228,0,0.0003228,MP,data/source/MP/cleaned/cifs/MP-mp-2624.cif,False,,data/final/MP/graphs/Al1Sb1-MP-mp-2624.json,0,True,-43m,5,0,0,0,0,0,0,0,0,0,1,1.0,False
Lu1Te1,1,0.0,1.0,True,Lu1Te1,Lu1Te1,0.0,Other,True,Lu50Te50,Lu-Te,2,Supercon,Lu1Te1,MP-mp-1185504,Lu1Te1,Lu-Te,Lu50Te50,P -6 m 2,hexagonal,3.978724,4.031371998691946,4.03137151,data/final/MP/cifs/Lu1Te1-MP-mp-1185504.cif,data/source/MP/raw/cifs/mp-1185504.cif,mp-1185504,0.0,,2019-01-11 13:36:27.668000,8.972026162786815,,,{'GGA': {'task_id': 'mp-1766524'}},0.0,6.12430479,520.0,-9.92361647,-4.961808235,{'tags': []},-9.92361647,-4.961808235,-1.3406825100000006,['bandstructure'],True,[],True,2021-05-12 10:58:29.672000,FM,2,5,mp-1185504,,LuTe,"{'functional': 'PBE', 'labels': ['Lu_3', 'Te'], 'pot_type': 'paw'}","{'Lu': 1.0, 'Te': 1.0}",GGA,mp-1185504,"['mp-1185504', 'mp-1425911', 'mp-1766524', 'mp-1931958', 'mp-1611052']",0.7764289,"{'Lu': 1.0, 'Te': 1.0}",55.99898112734697,[],FM,True,187,1,"[0.4, 0.0]",0.01386505404865,0.7764289,1,0.7764289,MP,data/source/MP/cleaned/cifs/MP-mp-1185504.cif,False,,data/final/MP/graphs/Lu1Te1-MP-mp-1185504.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
Er0.4Pd2Sn1Y0.6,2,0.0499999999999999,2.0,False,Er0.8Pd4Sn2Y1.2,Er1Pd4Sn2Y1,3.215,Other,True,Er10Pd50Sn25Y15,Er-Pd-Sn-Y,4,Supercon,Er0.4Y0.6Pd2Sn1,MP-mp-1215927,Y1Er1Sn2Pd4,Er-Pd-Sn-Y,Er12.5Pd50Sn25Y12.5,R -3 m,trigonal,4.808699938678648,4.808699938678648,8.28866616,data/final/MP/cifs/Er0.4Pd2Sn1Y0.6-MP-mp-1215927-synth_doped.cif,data/source/MP/raw/cifs/mp-1215927.cif,mp-1215927,0.0,,2019-01-12 17:31:35.587000,9.760223968368964,,,{'GGA': {'task_id': 'mp-1752553'}},0.0019414149999992,6.22720604,520.0,-46.81531429,-5.85191428625,{'tags': []},-46.81531429,-5.85191428625,-0.8803066770833343,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,NM,8,5,mp-1215927,,YEr(SnPd2)2,"{'functional': 'PBE', 'labels': ['Y_sv', 'Er_3', 'Sn_d', 'Pd'], 'pot_type': 'paw'}","{'Y': 1.0, 'Er': 1.0, 'Sn': 2.0, 'Pd': 4.0}",GGA,mp-1215927,"['mp-1215927', 'mp-1402669', 'mp-1752553', 'mp-1779486', 'mp-1618844']",0.0007625,"{'Y': 1.0, 'Er': 1.0, 'Sn': 2.0, 'Pd': 4.0}",156.39755818352177,[],NM,False,166,0,"[0, 0, 0, 0, 0, 0, 0, 0]",4.87539581088126e-06,0.0007625,0,0.0007625,MP,data/source/MP/cleaned/cifs/MP-mp-1215927.cif,True,,data/final/MP/graphs/Er0.4Pd2Sn1Y0.6-MP-mp-1215927-synth_doped.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Gd0.045In1La2.955,2,0.0224999999999999,1.0,True,Gd0.045In1La2.955,In1La3,4.3,Other,True,Gd1.125In25La73.875,Gd-In-La,3,Supercon,La2.9553Gd0.0447In1,MP-mp-20909,La3In1,In-La,In25La75,P m -3 m,cubic,5.076766,5.076766,5.076766,data/final/MP/cifs/Gd0.045In1La2.955-MP-mp-20909-synth_doped.cif,data/source/MP/raw/cifs/mp-20909.cif,mp-20909,0.0,,2014-02-21 06:52:52,6.7455760598452565,10.17188/1196104,"@misc{osti_1196104,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La3In (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196104"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1671685'}},0.0,8.16935076,520.0,-18.73796121,-4.6844903025,"{'tags': ['Indium lanthanum (1/3)', 'Lanthanum indium (3/1)']}",-18.73796121,-4.6844903025,-0.2945640412500001,"['xas', 'bandstructure']",True,"[639844, 51950, 639851, 639840, 603208, 107019]",True,2021-05-12 10:56:57.051000,NM,4,8,mp-20909,,La3In,"{'functional': 'PBE', 'labels': ['La', 'In_d'], 'pot_type': 'paw'}","{'La': 3.0, 'In': 1.0}",GGA,mp-20909,"['mp-906743', 'mp-921394', 'mp-920373', 'mp-20909', 'mp-1476042', 'mp-1671685', 'mp-1778647', 'mp-1590323']",0.0489742,"{'La': 3.0, 'In': 1.0}",130.84629766481785,[],NM,False,221,0,"[0, 0, 0, 0]",0.0003742880071811,0.0489742,0,0.0489742,MP,data/source/MP/cleaned/cifs/MP-mp-20909.cif,True,,data/final/MP/graphs/Gd0.045In1La2.955-MP-mp-20909-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Fe4La1P12,1,0.0,1.0,True,Fe4La1P12,Fe4La1P12,3.075,Ferrite,True,Fe23.529La5.882P70.588,Fe-La-P,3,Supercon,La1Fe4P12,MP-mp-582295,La1Fe4P12,Fe-La-P,Fe23.529La5.882P70.588,I m -3,cubic,6.771882181501221,6.771882180000001,6.77188218,data/final/MP/cifs/Fe4La1P12-MP-mp-582295.cif,data/source/MP/raw/cifs/mp-582295.cif,mp-582295,0.0,,2014-02-25 10:28:03,5.098254134025635,10.17188/1276968,"@misc{osti_1276968,
    author = ""Persson, Kristin"",
    title = ""Materials Data on La(FeP3)4 (SG:204) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276968"",
    place = ""United States"",
    year = ""2016"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1705179'}},0.0,8.58686939,520.0,-114.28949401,-6.722911412352941,"{'tags': ['Iron lanthanum phosphide (4/1/12)', 'Lanthanum iron phosphide (1/4/12)']}",-114.28949401,-6.722911412352941,-0.6184601779411761,"['xas', 'bandstructure']",True,"[1286, 168583]",True,2021-05-12 10:57:26.891000,NM,17,8,mp-582295,,La(FeP3)4,"{'functional': 'PBE', 'labels': ['La', 'Fe_pv', 'P'], 'pot_type': 'paw'}","{'La': 1.0, 'Fe': 4.0, 'P': 12.0}",GGA,mp-582295,"['mp-1001740', 'mp-1008181', 'mp-582295', 'mp-1503982', 'mp-1705179', 'mp-1938779', 'mp-1012504', 'mp-1604552']",3.92e-05,"{'La': 1.0, 'Fe': 4.0, 'P': 12.0}",239.05965576514367,[],NM,False,204,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.6397580710360748e-07,3.92e-05,0,3.92e-05,MP,data/source/MP/cleaned/cifs/MP-mp-582295.cif,False,,data/final/MP/graphs/Fe4La1P12-MP-mp-582295.json,0,True,m-3,2,0,0,0,0,0,0,0,0,1,0,1.0,False
Al1Nb2.739Ta0.261,3,0.1305,2.0,False,Al2Nb5.478Ta0.522,Al2Nb6,15.4,Other,True,Al25Nb68.475Ta6.525,Al-Nb-Ta,3,Supercon,Nb2.739Ta0.261Al1,MP-mp-796,Nb6Al2,Al-Nb,Al25Nb75,P m -3 n,cubic,5.215254,5.215254,5.215254,data/final/MP/cifs/Al1Nb2.739Ta0.261-MP-mp-796-synth_doped.cif,data/source/MP/raw/cifs/mp-796.cif,mp-796,0.0,,2011-05-13 16:07:37,7.157298025966356,,,{'GGA': {'task_id': 'mp-1686893'}},0.0460773865000003,5.52947534,520.0,-69.48918494,-8.6861481175,"{'tags': ['Aluminium niobium (1/3)', 'Niobium aluminide (3/1)', 'Aluminum niobium (1/3)']}",-69.48918494,-8.6861481175,-0.1737753800000003,"['bandstructure', 'elasticity']",True,"[608675, 608654, 608688, 608668, 608669, 608685, 608676, 608683, 58014, 608657, 107856, 608655, 608666, 608691, 608656, 608665, 608673, 608653, 608661]",True,2021-05-12 10:56:31.128000,NM,8,10,mp-796,,Nb3Al,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Al'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Al': 1.0}",GGA,mp-796,"['mp-911586', 'mp-927906', 'mp-796', 'mp-927472', 'mp-1260512', 'mp-1440919', 'mp-1686893', 'mp-1927652', 'mp-1591599', 'mp-1587739']",0.16323955,"{'Nb': 6.0, 'Al': 2.0}",141.8490379078192,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",0.0023015954483396,0.16323955,0,0.3264791,MP,data/source/MP/cleaned/cifs/MP-mp-796.cif,True,,data/final/MP/graphs/Al1Nb2.739Ta0.261-MP-mp-796-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Os10,1,0.0,0.2,False,Os2,Os2,0.5641666665,Other,True,Os100,Os,1,Supercon,Os10,MP-mp-49,Os2,Os,Os100,P 63/m m c,hexagonal,2.758515997630996,2.75851519,4.356799,data/final/MP/cifs/Os10-MP-mp-49.cif,data/source/MP/raw/cifs/mp-49.cif,mp-49,0.0,,2011-05-12 19:55:15,22.00437815997841,10.17188/1208475,"@misc{osti_1208475,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Os (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208475"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686732'}},0.0,8.74926222,520.0,-22.45473251,-11.227366255,"{'tags': ['Osmium - hcp', 'Osmium - HCP', 'Osmium', 'High pressure experimental phase']}",-22.45473251,-11.227366255,0.0,"['surfaces', 'eos', 'bandstructure', 'xas', 'elasticity']",True,"[40323, 52003, 169092, 186796, 186795, 186794, 647701, 647703, 426962, 186793, 52262, 181138, 181136, 77767, 647702, 186792, 181104, 181139, 53812, 186791, 64993]",True,2021-05-12 10:56:20.740000,NM,2,37,mp-49,,Os,"{'functional': 'PBE', 'labels': ['Os_pv'], 'pot_type': 'paw'}",{'Os': 1.0},GGA,mp-49,"['mp-923227', 'mp-907934', 'mp-922442', 'mp-49', 'mp-1058241', 'mp-1058281', 'mp-1058317', 'mp-1058651', 'mp-1058702', 'mp-1058607', 'mp-1058620', 'mp-1058667', 'mp-1058720', 'mp-1059396', 'mp-1059435', 'mp-1059378', 'mp-1059472', 'mp-1059512', 'mp-1059560', 'mp-1060208', 'mp-1060269', 'mp-1060343', 'mp-1061574', 'mp-1061634', 'mp-1061704', 'mp-1440617', 'mp-1686732', 'mp-1932209', 'mp-1594279', 'mp-1590768', 'mp-1059419', 'mp-1058678', 'mp-1058300', 'mp-1061672', 'mp-1059544', 'mp-1058692', 'mp-1060305']",4.61e-05,{'Os': 2.0},28.71104507864246,[],NM,False,194,0,"[0, 0]",3.2113076952599554e-06,4.61e-05,0,9.22e-05,MP,data/source/MP/cleaned/cifs/MP-mp-49.cif,False,,data/final/MP/graphs/Os10-MP-mp-49.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
In1Th2,1,0.0,2.0,False,In2Th4,In2Th4,0.0,Other,True,In33.333Th66.667,In-Th,2,Supercon,In1Th2,MP-mp-21428,Th4In2,In-Th,In33.333Th66.667,I 4/m c m,tetragonal,6.024220000480837,6.306462171199897,6.30646217,data/final/MP/cifs/In1Th2-MP-mp-21428.cif,data/source/MP/raw/cifs/mp-21428.cif,mp-21428,0.0,,2014-02-21 13:18:02,10.395802279489724,10.17188/1196885,"@misc{osti_1196885,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Th2In (SG:140) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196885"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1699820'}},0.030066688333334,7.35121853,520.0,-36.21323784,-6.03553964,"{'tags': ['Thorium indide (2/1)', 'Indium thorium (1/2)']}",-36.21323784,-6.03553964,-0.1757395633333338,"['xas', 'bandstructure']",True,"[640644, 102814, 59549]",True,2021-05-12 10:56:59.077000,NM,6,12,mp-21428,,Th2In,"{'functional': 'PBE', 'labels': ['Th', 'In_d'], 'pot_type': 'paw'}","{'Th': 2.0, 'In': 1.0}",GGA,mp-21428,"['mp-928357', 'mp-928876', 'mp-912345', 'mp-21428', 'mp-1071767', 'mp-1071842', 'mp-1071679', 'mp-1417475', 'mp-1699820', 'mp-1883008', 'mp-1596814', 'mp-1071850']",0.0002334,"{'Th': 4.0, 'In': 2.0}",184.93547219180329,[],NM,False,140,0,"[0, 0, 0, 0, 0, 0]",2.5241236549571457e-06,0.0002334,0,0.0004668,MP,data/source/MP/cleaned/cifs/MP-mp-21428.cif,False,,data/final/MP/graphs/In1Th2-MP-mp-21428.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu1Sr0.9Y0.1O2,2,0.0499999999999999,2.0,False,Cu2Sr1.8Y0.2O4,Cu2Sr2O4,36.6,Cuprate,True,Cu25Sr22.5Y2.5O50,Cu-Sr-Y-O,4,Supercon,Sr0.9Y0.1Cu1O2,MP-mp-5787,Sr2Cu2O4,Cu-Sr-O,Cu25Sr25O50,C m c m,orthorhombic,3.644437999912225,3.974263,8.32909336,data/final/MP/cifs/Cu1Sr0.9Y0.1O2-MP-mp-5787-synth_doped.cif,data/source/MP/raw/cifs/mp-5787.cif,mp-5787,0.0,,2011-05-13 22:43:08,5.167573150857569,10.17188/1276630,"@misc{osti_1276630,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SrCuO2 (SG:63) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276630"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703560'}},0.0,3.45760864,520.0,-45.24374469,-5.65546808625,"{'tags': ['Strontium cuprate', 'Strontium copper oxide']}",-45.24374469,-5.65546808625,-2.0778125529166664,"['xas', 'elasticity', 'bandstructure']",True,"[77291, 93653, 202992, 16217, 83051, 77293]",True,2021-05-12 10:56:27.046000,NM,8,8,mp-5787,oxide,SrCuO2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Cu': 1.0, 'O': 2.0}",GGA,mp-5787,"['mp-924142', 'mp-909103', 'mp-5787', 'mp-924940', 'mp-1475985', 'mp-1703560', 'mp-1802910', 'mp-1593696']",4e-07,"{'Sr': 2.0, 'Cu': 2.0, 'O': 4.0}",117.71572347282628,[],NM,False,63,0,"[0, 0, 0, 0, 0, 0, 0, 0]",6.796033498317439e-09,4e-07,0,8e-07,MP,data/source/MP/cleaned/cifs/MP-mp-5787.cif,True,,data/final/MP/graphs/Cu1Sr0.9Y0.1O2-MP-mp-5787-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Mo4Ru2Te8,1,0.0,1.0,True,Mo4Ru2Te8,Mo4Ru2Te8,0.0,Chevrel,True,Mo28.571Ru14.286Te57.143,Mo-Ru-Te,3,Supercon,Mo4Ru2Te8,MP-mp-1217418,Te8Mo4Ru2,Mo-Ru-Te,Mo28.571Ru14.286Te57.143,P 1,triclinic,7.119441,7.160082280000001,7.1721623,data/final/MP/cifs/Mo4Ru2Te8-MP-mp-1217418.cif,data/source/MP/raw/cifs/mp-1217418.cif,mp-1217418,0.1581999999999999,,2019-01-12 18:45:27.973000,7.332314297062444,,,,0.0,6.37212391,520.0,-91.09044843,-6.506460602142857,{'tags': []},-91.09044843,-6.506460602142857,-0.5277635400000003,[],False,[],True,2021-05-12 11:00:40.103000,NM,14,3,mp-1217418,,Te4Mo2Ru,"{'functional': 'PBE', 'labels': ['Te', 'Mo_pv', 'Ru_pv'], 'pot_type': 'paw'}","{'Te': 4.0, 'Mo': 2.0, 'Ru': 1.0}",GGA,mp-1217418,"['mp-1217418', 'mp-1334285', 'mp-1843069']",2.535e-05,"{'Te': 8.0, 'Mo': 4.0, 'Ru': 2.0}",363.86712437778334,[],NM,False,1,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.3933657811679896e-07,2.535e-05,0,5.07e-05,MP,data/source/MP/cleaned/cifs/MP-mp-1217418.cif,False,,data/final/MP/graphs/Mo4Ru2Te8-MP-mp-1217418.json,0,True,1,0,0,0,0,0,1,0,1,0,0,0,1.0,False
Pb0.985Te1Tl0.015,2,0.015,1.0,True,Pb0.985Te1Tl0.015,Pb1Te1,1.4,Other,True,Pb49.25Te50Tl0.75,Pb-Te-Tl,3,Supercon,Pb0.985Tl0.015Te1,MP-mp-19717,Te1Pb1,Pb-Te,Pb50Te50,F m -3 m,cubic,4.64263261,4.64263261,4.64263261,data/final/MP/cifs/Pb0.985Te1Tl0.015-MP-mp-19717-synth_doped.cif,data/source/MP/raw/cifs/mp-19717.cif,mp-19717,1.0581999999999994,,2013-09-21 09:56:54,7.856997090559908,10.17188/1194927,"@misc{osti_1194927,
    author = ""Persson, Kristin"",
    title = ""Materials Data on TePb (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1194927"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686920'}},0.0,4.9735213,520.0,-7.66743933,-3.833719665,"{'tags': ['Altaite', 'Lead telluride (1/1)', 'High pressure experimental phase', 'Lead telluride']}",-7.66743933,-3.833719665,-0.6167456649999998,"['eos', 'xas', 'bandstructure', 'diel', 'phonons', 'elasticity']",True,"[194220, 648583, 648588, 648607, 63099, 648584, 648590, 604178, 648595, 96500, 648608, 648596, 648597, 182660, 648599, 648593, 648603, 96504, 648591, 648586, 96506, 600843, 600522, 648614, 182662, 648606, 186788, 96505, 153711, 648581, 648605, 648587, 248494, 648585, 190437, 648600, 648617, 602956, 38295, 648589, 648615, 63098, 648592, 290707, 648612, 648594, 182661, 648616, 248495, 648613]",True,2021-05-12 10:56:14.760000,NM,2,34,mp-19717,,TePb,"{'functional': 'PBE', 'labels': ['Te', 'Pb_d'], 'pot_type': 'paw'}","{'Te': 1.0, 'Pb': 1.0}",GGA,mp-19717,"['mp-658057', 'mp-655294', 'mp-656827', 'mp-19717', 'mp-1056883', 'mp-1056867', 'mp-1056875', 'mp-1059285', 'mp-1059296', 'mp-1059300', 'mp-1059866', 'mp-1059872', 'mp-1059851', 'mp-1060231', 'mp-1060244', 'mp-1060254', 'mp-1061267', 'mp-1061381', 'mp-1061396', 'mp-1061412', 'mp-1061239', 'mp-1061250', 'mp-1142129', 'mp-1440755', 'mp-1686920', 'mp-1801248', 'mp-1594316', 'mp-1595339', 'mp-1059310', 'mp-1060260', 'mp-1061273', 'mp-1061416', 'mp-1056891', 'mp-1059878']",0.0014838,"{'Te': 1.0, 'Pb': 1.0}",70.75839192630549,[],NM,False,225,0,"[0, 0]",2.096995083700277e-05,0.0014838,0,0.0014838,MP,data/source/MP/cleaned/cifs/MP-mp-19717.cif,True,,data/final/MP/graphs/Pb0.985Te1Tl0.015-MP-mp-19717-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Cu1La1O2.64,3,0.0620689655172414,2.0,False,Cu2La2O5.28,Cu2La2O6,0.0,Cuprate,True,Cu21.552La21.552O56.89655172413793,Cu-La-O,3,Supercon,La1Cu1O2.64,MP-mp-3474,La2Cu2O6,Cu-La-O,Cu20La20O60,R -3 c,trigonal,5.4477705,5.4477705,5.44777013,data/final/MP/cifs/Cu1La1O2.64-MP-mp-3474-synth_doped.cif,data/source/MP/raw/cifs/mp-3474.cif,mp-3474,0.0,,2011-05-14 08:56:28,7.050085630553842,10.17188/1206881,"@misc{osti_1206881,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaCuO3 (SG:167) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1206881"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702794'}},0.0,7.03721726,520.0,-67.87475158,-6.787475158,"{'tags': ['Lanthanum cuprate(III)', 'Lanthanum copper(III) oxide']}",-67.87475158,-6.787475158,-2.4238558,"['xas', 'bandstructure']",True,"[73554, 9428]",True,2021-05-12 10:57:06.958000,NM,10,8,mp-3474,oxide,LaCuO3,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 1.0, 'Cu': 1.0, 'O': 3.0}",GGA,mp-3474,"['mp-922220', 'mp-907610', 'mp-921966', 'mp-3474', 'mp-1414769', 'mp-1702794', 'mp-1804977', 'mp-1591206']",9.3e-06,"{'La': 2.0, 'Cu': 2.0, 'O': 6.0}",117.97912338815296,[],NM,False,167,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.5765501103789136e-07,9.3e-06,0,1.86e-05,MP,data/source/MP/cleaned/cifs/MP-mp-3474.cif,True,,data/final/MP/graphs/Cu1La1O2.64-MP-mp-3474-synth_doped.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Ru1Te2,1,0.0,2.0,False,Ru2Te4,Ru2Te4,0.0,Other,True,Ru33.333Te66.667,Ru-Te,2,Supercon,Ru1Te2,MP-mp-267,Te4Ru2,Ru-Te,Ru33.333Te66.667,P n n m,orthorhombic,4.069881,5.347614,6.468023,data/final/MP/cifs/Ru1Te2-MP-mp-267.cif,data/source/MP/raw/cifs/mp-267.cif,mp-267,0.3194999999999997,,2011-05-13 03:54:06,8.405141492059311,10.17188/1201219,"@misc{osti_1201219,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Te2Ru (SG:58) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1201219"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1702736'}},0.0,8.01637383,520.0,-33.14715161,-5.524525268333334,"{'tags': ['Ruthenium(IV) telluride', 'Ruthenium telluride (1/2)']}",-33.14715161,-5.524525268333334,-0.6188614300000003,"['diel', 'xas', 'bandstructure', 'phonons']",True,"[106001, 650713, 406722]",True,2021-05-12 10:56:45.290000,NM,6,10,mp-267,,Te2Ru,"{'functional': 'PBE', 'labels': ['Te', 'Ru_pv'], 'pot_type': 'paw'}","{'Te': 2.0, 'Ru': 1.0}",GGA,mp-267,"['mp-924737', 'mp-925270', 'mp-909647', 'mp-267', 'mp-1077000', 'mp-1141501', 'mp-1420532', 'mp-1702736', 'mp-1780780', 'mp-1592202']",1.35e-06,"{'Te': 4.0, 'Ru': 2.0}",140.7710396824352,[],NM,False,58,0,"[0, 0, 0, 0, 0, 0]",1.9180081400911146e-08,1.35e-06,0,2.7e-06,MP,data/source/MP/cleaned/cifs/MP-mp-267.cif,False,,data/final/MP/graphs/Ru1Te2-MP-mp-267.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Ce0.875Ge12Pr0.125Pt4,2,0.0147058823529411,1.0,True,Ce0.875Ge12Pr0.125Pt4,Ce1Ge12Pt4,0.0,Heavy_fermion,True,Ce5.147Ge70.588Pr0.735Pt23.529,Ce-Ge-Pr-Pt,4,Supercon,Pr0.125Ce0.875Pt4Ge12,MP-mp-1190040,Ce1Ge12Pt4,Ce-Ge-Pt,Ce5.882Ge70.588Pt23.529,I m -3,cubic,7.554374241674687,7.55437424,7.55437424,data/final/MP/cifs/Ce0.875Ge12Pr0.125Pt4-MP-mp-1190040-synth_doped.cif,data/source/MP/raw/cifs/mp-1190040.cif,mp-1190040,0.0,,2019-01-11 20:38:55.889000,8.966965437997649,,,{'GGA': {'task_id': 'mp-1707713'}},0.0,4.51971036,520.0,-92.33742426,-5.431613191764706,{'tags': ['Cerium platinum germanide (1/4/12)']},-92.33742426,-5.431613191764706,-0.3908452944117654,['bandstructure'],True,[174553],True,2021-05-12 10:58:33.577000,FM,17,5,mp-1190040,,Ce(Ge3Pt)4,"{'functional': 'PBE', 'labels': ['Ce', 'Ge_d', 'Pt'], 'pot_type': 'paw'}","{'Ce': 1.0, 'Ge': 12.0, 'Pt': 4.0}",GGA,mp-1190040,"['mp-1190040', 'mp-1428966', 'mp-1707713', 'mp-1812627', 'mp-1638005']",0.0676464,"{'Ce': 1.0, 'Ge': 12.0, 'Pt': 4.0}",331.87427999817515,[],FM,True,204,1,"[0.1, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0002038314026635,0.0676464,1,0.0676464,MP,data/source/MP/cleaned/cifs/MP-mp-1190040.cif,True,,data/final/MP/graphs/Ce0.875Ge12Pr0.125Pt4-MP-mp-1190040-synth_doped.json,0,True,m-3,2,0,0,0,0,0,0,0,0,1,0,1.0,False
Ca0.39Cu3Pb2Sr2Y0.61O8,2,0.0137499999999999,2.0,False,Ca0.78Cu6Pb4Sr4Y1.22O16,Ca1Cu6Pb4Sr4Y1O16,77.0,Cuprate,True,Ca2.438Cu18.75Pb12.5Sr12.5Y3.812O50,Ca-Cu-Pb-Sr-Y-O,6,Supercon,Pb2Sr2Y0.61Ca0.39Cu3O8,MP-mp-1218734,Sr4Ca1Y1Cu6Pb4O16,Ca-Cu-Pb-Sr-Y-O,Ca3.125Cu18.75Pb12.5Sr12.5Y3.125O50,P -1,triclinic,5.409182,5.43484807,15.91871111,data/final/MP/cifs/Ca0.39Cu3Pb2Sr2Y0.61O8-MP-mp-1218734-synth_doped.cif,data/source/MP/raw/cifs/mp-1218734.cif,mp-1218734,0.0,,2019-01-12 19:51:15.257000,6.904106081290769,,,,0.0219881772737666,4.29183133,520.0,-186.6260121,-5.832062878125,{'tags': []},-186.6260121,-5.832062878125,-1.9929613410416671,[],False,[],True,2021-05-12 11:00:42.526000,NM,32,3,mp-1218734,oxide,Sr4CaYCu6(PbO4)4,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Y_sv', 'Cu_pv', 'Pb_d', 'O'], 'pot_type': 'paw'}","{'Sr': 4.0, 'Ca': 1.0, 'Y': 1.0, 'Cu': 6.0, 'Pb': 4.0, 'O': 16.0}",GGA,mp-1218734,"['mp-1218734', 'mp-1380819', 'mp-1821682']",0.002747,"{'Sr': 4.0, 'Ca': 1.0, 'Y': 1.0, 'Cu': 6.0, 'Pb': 4.0, 'O': 16.0}",467.9286423671341,[],NM,False,2,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.870553223892458e-06,0.002747,0,0.002747,MP,data/source/MP/cleaned/cifs/MP-mp-1218734.cif,True,,data/final/MP/graphs/Ca0.39Cu3Pb2Sr2Y0.61O8-MP-mp-1218734-synth_doped.json,0,True,-1,0,0,0,0,0,2,0,1,0,0,0,1.0,False
Ba2Cu3Pr0.15Y0.85O6.5,2,0.024,2.0,False,Ba4Cu6Pr0.3Y1.7O13,Ba4Cu6Y2O13,35.8,Cuprate,True,Ba16Cu24Pr1.2Y6.8O52,Ba-Cu-Pr-Y-O,5,Supercon,Y0.85Pr0.15Ba2Cu3O6.5,MP-mp-20897,Ba4Y2Cu6O13,Ba-Cu-Y-O,Ba16Cu24Y8O52,P m m m,orthorhombic,3.909175,7.72064,11.972045,data/final/MP/cifs/Ba2Cu3Pr0.15Y0.85O6.5-MP-mp-20897-synth_doped.cif,data/source/MP/raw/cifs/mp-20897.cif,mp-20897,0.0,,2014-02-25 20:12:33,6.049593917158658,10.17188/1196091,"@misc{osti_1196091,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba4Y2Cu6O13 (SG:47) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1196091"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1669318'}},0.0223745503700012,3.31128034,520.0,-155.75476866,-6.2301907464,"{'tags': ['Yttrium barium copper oxide (1/2/3/6.5)', 'Yttrium barium copper oxide (2/4/6/13)']}",-155.75476866,-6.2301907464,-2.2063284011333337,"['xas', 'elasticity', 'bandstructure']",True,"[96019, 96018, 390001, 75697, 73896, 96020, 96017, 96016]",True,2021-05-12 10:56:14.760000,NM,25,8,mp-20897,oxide,Ba4Y2Cu6O13,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Y_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Ba': 4.0, 'Y': 2.0, 'Cu': 6.0, 'O': 13.0}",GGA,mp-20897,"['mp-993255', 'mp-991266', 'mp-20897', 'mp-1435084', 'mp-1669318', 'mp-1838426', 'mp-994634', 'mp-1584471']",0.0060136,"{'Ba': 4.0, 'Y': 2.0, 'Cu': 6.0, 'O': 13.0}",361.3322753035632,[],NM,False,47,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, -0.0, -0.0, -0.0, 0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",1.6642853160426486e-05,0.0060136,0,0.0060136,MP,data/source/MP/cleaned/cifs/MP-mp-20897.cif,True,,data/final/MP/graphs/Ba2Cu3Pr0.15Y0.85O6.5-MP-mp-20897-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
N1.07Nb1,3,0.0570926657883178,10.0,False,N10.7Nb10,N12Nb10,14.4,Other,True,N51.691Nb48.309,N-Nb,2,Supercon,N1.07Nb1,MP-mp-7234,Nb10N12,N-Nb,N54.545Nb45.455,P 63/m c m,hexagonal,5.260569997530929,5.26057064,10.474606,data/final/MP/cifs/N1.07Nb1-MP-mp-7234-synth_doped.cif,data/source/MP/raw/cifs/mp-7234.cif,mp-7234,0.0,,2011-06-08 02:55:45,7.257362272865128,10.17188/1287601,"@misc{osti_1287601,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Nb5N6 (SG:193) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1287601"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1673988'}},0.0,6.93814895,520.0,-223.28112807,-10.149142185,{'tags': ['Niobium nitride (5/6)']},-223.28112807,-10.149142185,-1.207369934999999,['bandstructure'],True,[26252],True,2021-05-12 10:58:55.498000,NM,22,8,mp-7234,,Nb5N6,"{'functional': 'PBE', 'labels': ['Nb_pv', 'N'], 'pot_type': 'paw'}","{'Nb': 5.0, 'N': 6.0}",GGA,mp-7234,"['mp-930705', 'mp-7234', 'mp-913955', 'mp-1436023', 'mp-1673988', 'mp-1774482', 'mp-977676', 'mp-1607305']",0.00955485,"{'Nb': 10.0, 'N': 12.0}",251.0348439687794,[],NM,False,193,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",7.612369541168806e-05,0.00955485,0,0.0191097,MP,data/source/MP/cleaned/cifs/MP-mp-7234.cif,True,,data/final/MP/graphs/N1.07Nb1-MP-mp-7234-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Rh1Y1,1,0.0,1.0,True,Rh1Y1,Rh1Y1,0.0,Other,True,Rh50Y50,Rh-Y,2,Supercon,Rh1Y1,MP-mp-191,Y1Rh1,Rh-Y,Rh50Y50,P m -3 m,cubic,3.443925,3.443925,3.443925,data/final/MP/cifs/Rh1Y1-MP-mp-191.cif,data/source/MP/raw/cifs/mp-191.cif,mp-191,0.0,,2011-05-12 19:43:37,7.797624979465073,10.17188/1193920,"@misc{osti_1193920,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YRh (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1193920"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686686'}},0.0,4.90957933,520.0,-15.53478589,-7.767392945,{'tags': ['Rhodium yttrium (1/1)']},-15.53478589,-7.767392945,-0.8520034533333334,"['xas', 'elasticity', 'bandstructure']",True,"[650541, 650536, 105972, 650535, 105973, 650527, 650530]",True,2021-05-12 10:56:14.760000,NM,2,9,mp-191,,YRh,"{'functional': 'PBE', 'labels': ['Y_sv', 'Rh_pv'], 'pot_type': 'paw'}","{'Y': 1.0, 'Rh': 1.0}",GGA,mp-191,"['mp-930945', 'mp-913785', 'mp-930578', 'mp-191', 'mp-1442338', 'mp-1686686', 'mp-1791432', 'mp-1592662', 'mp-1594797']",0.0013432,"{'Y': 1.0, 'Rh': 1.0}",40.84708368651708,[],NM,False,221,0,"[0, 0]",3.2883620537232306e-05,0.0013432,0,0.0013432,MP,data/source/MP/cleaned/cifs/MP-mp-191.cif,False,,data/final/MP/graphs/Rh1Y1-MP-mp-191.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ga1La0.222V2.778,3,0.1109999999999999,2.0,False,Ga2La0.444V5.556,Ga2V6,7.8,Other,True,Ga25La5.55V69.45,Ga-La-V,3,Supercon,V2.778La0.222Ga1,MP-mp-22568,V6Ga2,Ga-V,Ga25V75,P m -3 n,cubic,4.789645,4.789645,4.789645,data/final/MP/cifs/Ga1La0.222V2.778-MP-mp-22568-synth_doped.cif,data/source/MP/raw/cifs/mp-22568.cif,mp-22568,0.0,,2014-02-22 11:36:40,6.726541666276222,10.17188/1198793,"@misc{osti_1198793,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V3Ga (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1198793"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686867'}},0.0,5.67452231,520.0,-61.95244347,-7.74405543375,{'tags': ['Gallium vanadium (1/3)']},-61.95244347,-7.74405543375,-0.1741018756249994,"['xas', 'elasticity', 'bandstructure']",True,"[635643, 635628, 635619, 635634, 104021, 635646, 635604, 635610, 635617, 635624, 635626, 635605, 635631, 635625, 635636, 635603, 104020, 635616, 635607]",True,2021-05-12 10:56:16.728000,FM,8,9,mp-22568,,V3Ga,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 3.0, 'Ga': 1.0}",GGA,mp-22568,"['mp-941343', 'mp-941663', 'mp-934924', 'mp-22568', 'mp-1440749', 'mp-1686867', 'mp-1804076', 'mp-1593784', 'mp-1595713']",0.09063635,"{'V': 6.0, 'Ga': 2.0}",109.87780534443452,[],FM,True,131,1,"[0.0, 0.0, 0.1, 0.1, 0.0, 0.0, -0.0, -0.0]",0.0016497662965852,0.09063635,2,0.1812727,MP,data/source/MP/cleaned/cifs/MP-mp-22568.cif,True,,data/final/MP/graphs/Ga1La0.222V2.778-MP-mp-22568-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ce0.875Co1In5La0.125,2,0.0357142857142857,1.0,True,Ce0.875Co1In5La0.125,Ce1Co1In5,0.86,Heavy_fermion,True,Ce12.5Co14.286In71.429La1.786,Ce-Co-In-La,4,Supercon,Ce0.875La0.125Co1In5,MP-mp-19961,Ce1In5Co1,Ce-Co-In,Ce14.286Co14.286In71.429,P 4/m m m,tetragonal,4.635989,4.635989,7.564124,data/final/MP/cifs/Ce0.875Co1In5La0.125-MP-mp-19961-synth_doped.cif,data/source/MP/raw/cifs/mp-19961.cif,mp-19961,0.0,,2014-02-21 14:08:25,7.897022127398995,10.17188/1195145,"@misc{osti_1195145,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeIn5Co (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195145"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701944'}},0.0,7.80626318,520.0,-28.52795357,-4.075421938571429,{'tags': ['Cerium cobalt indium (1/1/5)']},-28.52795357,-4.075421938571429,-0.2468754242857146,"['xas', 'bandstructure']",True,[102108],True,2021-05-12 10:56:57.051000,FM,7,8,mp-19961,,CeIn5Co,"{'functional': 'PBE', 'labels': ['Ce', 'In_d', 'Co'], 'pot_type': 'paw'}","{'Ce': 1.0, 'In': 5.0, 'Co': 1.0}",GGA,mp-19961,"['mp-928775', 'mp-912209', 'mp-928270', 'mp-19961', 'mp-1504062', 'mp-1701944', 'mp-1785253', 'mp-1593180']",0.9310323,"{'Ce': 1.0, 'In': 5.0, 'Co': 1.0}",162.57113333428427,[],FM,True,123,1,"[0.7, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0057269226147644,0.9310323,1,0.9310323,MP,data/source/MP/cleaned/cifs/MP-mp-19961.cif,True,,data/final/MP/graphs/Ce0.875Co1In5La0.125-MP-mp-19961-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
As2Ba0.88Fe2K0.12,3,0.0853333333333333,3.0,False,As6Ba2.64Fe6K0.36,As6Ba2Fe6K1,10.0,Ferrite,True,As40Ba17.6Fe40K2.4,As-Ba-Fe-K,4,Supercon,Ba0.88K0.12Fe2As2,MP-mp-1223567,K1Ba2Fe6As6,As-Ba-Fe-K,As40Ba13.333Fe40K6.667,C 1 2/m 1,monoclinic,5.48060788,7.102799640000001,8.784942288492543,data/final/MP/cifs/As2Ba0.88Fe2K0.12-MP-mp-1223567-synth_doped.cif,data/source/MP/raw/cifs/mp-1223567.cif,mp-1223567,0.0,,2019-01-12 23:56:38.667000,6.101417464045543,,,,0.0186882046666676,4.38014394,520.0,-90.51509253,-6.034339502,{'tags': []},-90.51509253,-6.034339502,-0.4527993862000007,[],False,[],True,2021-05-12 11:00:52.054000,FM,15,4,mp-1223567,,KBa2(FeAs)6,"{'functional': 'PBE', 'labels': ['K_sv', 'Ba_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'K': 1.0, 'Ba': 2.0, 'Fe': 6.0, 'As': 6.0}",GGA,mp-1223567,"['mp-1223567', 'mp-1374097', 'mp-1656306', 'mp-1808539']",1.3326448,"{'K': 1.0, 'Ba': 2.0, 'Fe': 6.0, 'As': 6.0}",298.92336486922324,[],FM,True,12,2,"[0.0, 0.0, 0.0, 0.3, 0.3, 0.1, 0.3, 0.1, 0.3, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0044581486649028,1.3326448,6,1.3326448,MP,data/source/MP/cleaned/cifs/MP-mp-1223567.cif,True,,data/final/MP/graphs/As2Ba0.88Fe2K0.12-MP-mp-1223567-synth_doped.json,0,True,2/m,0,0,3,0,0,0,0,0,1,0,0,1.0,False
Sb1Ta3,1,0.0,2.0,False,Sb2Ta6,Sb2Ta6,0.72,Other,True,Sb25Ta75,Sb-Ta,2,Supercon,Sb1Ta3,MP-mp-541,Ta6Sb2,Sb-Ta,Sb25Ta75,P m -3 n,cubic,5.302976,5.302976,5.302976,data/final/MP/cifs/Sb1Ta3-MP-mp-541.cif,data/source/MP/raw/cifs/mp-541.cif,mp-541,0.0,,2011-05-13 19:21:08,14.800719357096618,10.17188/1264904,"@misc{osti_1264904,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ta3Sb (SG:223) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1264904"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703168'}},0.0,7.65710113,520.0,-80.16720321,-10.02090040125,{'tags': ['Tantalum antimonide (3/1)']},-80.16720321,-10.02090040125,-0.1433168687500003,"['xas', 'elasticity', 'bandstructure']",True,"[52310, 651601]",True,2021-05-12 10:56:22.739000,NM,8,8,mp-541,,Ta3Sb,"{'functional': 'PBE', 'labels': ['Ta_pv', 'Sb'], 'pot_type': 'paw'}","{'Ta': 3.0, 'Sb': 1.0}",GGA,mp-541,"['mp-911033', 'mp-927161', 'mp-541', 'mp-926608', 'mp-1429042', 'mp-1703168', 'mp-1790000', 'mp-1591208']",7.43e-05,"{'Ta': 6.0, 'Sb': 2.0}",149.12792836591558,[],NM,False,223,0,"[0, 0, 0, 0, 0, 0, 0, 0]",9.964598960657445e-07,7.43e-05,0,0.0001486,MP,data/source/MP/cleaned/cifs/MP-mp-541.cif,False,,data/final/MP/graphs/Sb1Ta3-MP-mp-541.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Ga5V2,1,0.0,2.0,False,Ga10V4,Ga10V4,3.57,Other,True,Ga71.429V28.571,Ga-V,2,Supercon,Ga5V2,MP-mp-20405,V4Ga10,Ga-V,Ga71.429V28.571,P 4/m b m,tetragonal,2.681995,8.992585,8.992585,data/final/MP/cifs/Ga5V2-MP-mp-20405.cif,data/source/MP/raw/cifs/mp-20405.cif,mp-20405,0.0,,2014-12-22 16:15:07,6.898344728120334,10.17188/1195532,"@misc{osti_1195532,
    author = ""Persson, Kristin"",
    title = ""Materials Data on V2Ga5 (SG:127) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195532"",
    place = ""United States"",
    year = ""2016"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1704630'}},0.0,4.91528502,520.0,-69.85403743,-4.989574102142858,"{'tags': ['Gallium vanadium (5/2)', 'Vanadium gallide (2/5)', 'Vanadium gallium (2/5)']}",-69.85403743,-4.989574102142858,-0.231246637500001,"['xas', 'bandstructure']",True,"[635614, 635606, 104026, 635645, 151105, 635642]",True,2021-05-12 10:56:57.051000,NM,14,9,mp-20405,,V2Ga5,"{'functional': 'PBE', 'labels': ['V_pv', 'Ga_d'], 'pot_type': 'paw'}","{'V': 2.0, 'Ga': 5.0}",GGA,mp-20405,"['mp-914558', 'mp-977930', 'mp-1104275', 'mp-20405', 'mp-1428452', 'mp-1704630', 'mp-1833531', 'mp-992510', 'mp-1601348']",0.00171725,"{'V': 4.0, 'Ga': 10.0}",216.88377658940257,[],NM,False,127,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",1.583567039457306e-05,0.00171725,0,0.0034345,MP,data/source/MP/cleaned/cifs/MP-mp-20405.cif,False,,data/final/MP/graphs/Ga5V2-MP-mp-20405.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Rh0.2Ru0.8,3,0.1,8.0,False,Rh1.6Ru6.4,Rh2Ru6,0.18,Other,True,Rh20Ru80,Rh-Ru,2,Supercon,Rh0.2Ru0.8,MP-mp-1186926,Ru6Rh2,Rh-Ru,Rh25Ru75,P 63/m m c,hexagonal,4.322245,5.473358002047331,5.47335794,data/final/MP/cifs/Rh0.2Ru0.8-MP-mp-1186926-synth_doped.cif,data/source/MP/raw/cifs/mp-1186926.cif,mp-1186926,0.0,,2019-01-11 14:41:49.557000,12.027654440930414,,,{'GGA': {'task_id': 'mp-1753872'}},0.013520238749999,8.03030096,520.0,-70.26679176,-8.78334897,{'tags': []},-70.26679176,-8.78334897,0.013520238749999,['bandstructure'],True,[],True,2021-05-12 10:58:29.672000,NM,8,5,mp-1186926,,Ru3Rh,"{'functional': 'PBE', 'labels': ['Ru_pv', 'Rh_pv'], 'pot_type': 'paw'}","{'Ru': 3.0, 'Rh': 1.0}",GGA,mp-1186926,"['mp-1186926', 'mp-1402650', 'mp-1753872', 'mp-1803626', 'mp-1622206']",0.0005098,"{'Ru': 6.0, 'Rh': 2.0}",112.13668577090006,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",9.09247489339114e-06,0.0005098,0,0.0010196,MP,data/source/MP/cleaned/cifs/MP-mp-1186926.cif,True,,data/final/MP/graphs/Rh0.2Ru0.8-MP-mp-1186926-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Sr1Ti0.97Zr0.03O3,2,0.012,1.0,True,Sr1Ti0.97Zr0.03O3,Sr1Ti1O3,0.3,Oxide,True,Sr20Ti19.4Zr0.6O60,Sr-Ti-Zr-O,4,Supercon,Sr1Ti0.97Zr0.03O3,MP-mp-551830,Sr2Ti2O6,Sr-Ti-O,Sr20Ti20O60,P m -3 m,cubic,3.942851452350787,3.942851452692745,3.9464989993092807,data/final/MP/cifs/Sr1Ti0.97Zr0.03O3-MP-mp-551830-synth_doped.cif,data/source/MP/raw/cifs/mp-551830.cif,mp-551830,1.7869999999999997,,2014-02-21 05:23:00,4.966121139868444,,,{'GGA': {'task_id': 'mp-1759822'}},0.0005822479999988,3.22413565,520.0,-80.25240668,-8.025240668,{'tags': []},-80.25240668,-8.025240668,-3.551666971000001,"['bandstructure', 'elasticity']",True,[],True,2021-05-12 10:56:22.739000,NM,10,4,mp-551830,oxide,SrTiO3,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ti_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Ti': 1.0, 'O': 3.0}",GGA,mp-551830,"['mp-551830', 'mp-1406736', 'mp-1759822', 'mp-1627898']",0.00106425,"{'Sr': 2.0, 'Ti': 2.0, 'O': 6.0}",122.70515928291898,[],NM,False,221,0,"[0, 0, 0, 0, 0]",1.7346458881100164e-05,0.00106425,0,0.0021285,MP,data/source/MP/cleaned/cifs/MP-mp-551830.cif,True,,data/final/MP/graphs/Sr1Ti0.97Zr0.03O3-MP-mp-551830-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
As2Co0.15Fe1.85Sr1,3,0.0599999999999999,1.0,True,As2Co0.15Fe1.85Sr1,As2Fe2Sr1,0.0,Ferrite,True,As40Co3Fe37Sr20,As-Co-Fe-Sr,4,Supercon,Sr1Fe1.85Co0.15As2,MP-mp-4488,Sr1Fe2As2,As-Fe-Sr,As40Fe40Sr20,I 4/m m m,tetragonal,3.9729799997357778,3.9729799997357778,6.45523327,data/final/MP/cifs/As2Co0.15Fe1.85Sr1-MP-mp-4488-synth_doped.cif,data/source/MP/raw/cifs/mp-4488.cif,mp-4488,0.0,,2011-05-13 03:37:13,6.319998834487784,10.17188/1208187,"@misc{osti_1208187,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Sr(FeAs)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1208187"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1672865'}},0.0,5.13397273,520.0,-30.61898897,-6.123797794,"{'tags': ['Strontium diiron arsenide - HT', 'Strontium diiron arsenide', 'Strontium diiron diarsenide', 'Iron strontium arsenide (2/1/2)', 'Strontium diiron arsenide - LT']}",-30.61898897,-6.123797794,-0.5342483613333335,"['xas', 'elasticity', 'bandstructure']",True,"[182330, 181993, 610527, 163209, 163208, 163869]",True,2021-05-12 10:56:20.740000,NM,5,8,mp-4488,,Sr(FeAs)2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Fe_pv', 'As'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",GGA,mp-4488,"['mp-906356', 'mp-920135', 'mp-919110', 'mp-4488', 'mp-1439153', 'mp-1672865', 'mp-1873948', 'mp-1592272']",0.0029206,"{'Sr': 1.0, 'Fe': 2.0, 'As': 2.0}",91.7377588211838,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0]",3.183640016422098e-05,0.0029206,0,0.0029206,MP,data/source/MP/cleaned/cifs/MP-mp-4488.cif,True,,data/final/MP/graphs/As2Co0.15Fe1.85Sr1-MP-mp-4488-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Cu0.92La2Zn0.08O4,2,0.0228571428571428,1.0,True,Cu0.92La2Zn0.08O4,Cu1La2O4,0.0,Cuprate,True,Cu13.143La28.571Zn1.143O57.142857142857146,Cu-La-Zn-O,4,Supercon,La2Cu0.92Zn0.08O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu0.92La2Zn0.08O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu0.92La2Zn0.08O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Dy0.1Fe3Si5Y1.9,2,0.02,4.0,False,Dy0.4Fe12Si20Y7.6,Fe12Si20Y8,2.75,Other,True,Dy1Fe30Si50Y19,Dy-Fe-Si-Y,4,Supercon,Y1.9Dy0.1Fe3Si5,MP-mp-1197725,Y8Fe12Si20,Fe-Si-Y,Fe30Si50Y20,P 4/m n c,tetragonal,5.486546,10.359463,10.359463,data/final/MP/cifs/Dy0.1Fe3Si5Y1.9-MP-mp-1197725-synth_doped.cif,data/source/MP/raw/cifs/mp-1197725.cif,mp-1197725,0.0,,2019-01-12 02:38:49.774000,5.479867051108368,,,{'GGA': {'task_id': 'mp-1738464'}},0.0,7.45858883,520.0,-289.57873526,-7.239468381499999,"{'tags': ['Y2Fe3Si5', 'Yttrium iron silicide (2/3/5)', 'U2Mn3Si5', 'Iron yttrium silicide (3/2/5)']}",-289.57873526,-7.239468381499999,-0.6570146138333314,[],False,"[633645, 633646, 633652, 247833]",True,2021-05-12 11:00:01.375000,NM,40,7,mp-1197725,,Y2Fe3Si5,"{'functional': 'PBE', 'labels': ['Y_sv', 'Fe_pv', 'Si'], 'pot_type': 'paw'}","{'Y': 2.0, 'Fe': 3.0, 'Si': 5.0}",GGA,mp-1197725,"['mp-1197725', 'mp-1201181', 'mp-1201341', 'mp-1202886', 'mp-1392993', 'mp-1738464', 'mp-1890166']",6.6625e-05,"{'Y': 8.0, 'Fe': 12.0, 'Si': 20.0}",588.8077423215643,[],NM,False,128,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.5260953762129193e-07,6.6625e-05,0,0.0002665,MP,data/source/MP/cleaned/cifs/MP-mp-1197725.cif,True,,data/final/MP/graphs/Dy0.1Fe3Si5Y1.9-MP-mp-1197725-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Cu1Sr0.85O2,3,0.0584415584415584,2.0,False,Cu2Sr1.7O4,Cu2Sr2O4,0.0,Cuprate,True,Cu25.974Sr22.078O51.94805194805195,Cu-Sr-O,3,Supercon,Sr0.85Cu1O2,MP-mp-5787,Sr2Cu2O4,Cu-Sr-O,Cu25Sr25O50,C m c m,orthorhombic,3.644437999912225,3.974263,8.32909336,data/final/MP/cifs/Cu1Sr0.85O2-MP-mp-5787-synth_doped.cif,data/source/MP/raw/cifs/mp-5787.cif,mp-5787,0.0,,2011-05-13 22:43:08,5.167573150857569,10.17188/1276630,"@misc{osti_1276630,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SrCuO2 (SG:63) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1276630"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703560'}},0.0,3.45760864,520.0,-45.24374469,-5.65546808625,"{'tags': ['Strontium cuprate', 'Strontium copper oxide']}",-45.24374469,-5.65546808625,-2.0778125529166664,"['xas', 'elasticity', 'bandstructure']",True,"[77291, 93653, 202992, 16217, 83051, 77293]",True,2021-05-12 10:56:27.046000,NM,8,8,mp-5787,oxide,SrCuO2,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Cu': 1.0, 'O': 2.0}",GGA,mp-5787,"['mp-924142', 'mp-909103', 'mp-5787', 'mp-924940', 'mp-1475985', 'mp-1703560', 'mp-1802910', 'mp-1593696']",4e-07,"{'Sr': 2.0, 'Cu': 2.0, 'O': 4.0}",117.71572347282628,[],NM,False,63,0,"[0, 0, 0, 0, 0, 0, 0, 0]",6.796033498317439e-09,4e-07,0,8e-07,MP,data/source/MP/cleaned/cifs/MP-mp-5787.cif,True,,data/final/MP/graphs/Cu1Sr0.85O2-MP-mp-5787-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Ca4Cl4Cu3Sm2O8,1,0.0,1.0,True,Ca4Cl4Cu3Sm2O8,Ca4Cl4Cu3Sm2O8,0.0,Cuprate,True,Ca19.048Cl19.048Cu14.286Sm9.524O38.095238095238095,Ca-Cl-Cu-Sm-O,5,Supercon,Ca4Sm2Cu3Cl4O8,MP-mp-1214003,Ca4Sm2Cu3Cl4O8,Ca-Cl-Cu-Sm-O,Ca19.048Cl19.048Cu14.286Sm9.524O38.095238095238095,I 4/m m m,tetragonal,3.903752001391455,3.9037520013914544,21.69838401,data/final/MP/cifs/Ca4Cl4Cu3Sm2O8-MP-mp-1214003.cif,data/source/MP/raw/cifs/mp-1214003.cif,mp-1214003,0.0,,2019-01-12 15:55:25.166000,4.665356861765769,,,,0.0119960397420646,3.74735106,520.0,-123.7710801,-5.8938609571428575,"{'tags': ['Ca4Cu3Gd2Cl4O8', 'Ca4Cu3Sm2Cl4O8']}",-123.7710801,-5.8938609571428575,-2.6184787438095247,[],False,[],True,2021-05-12 11:00:35.508000,NM,21,3,mp-1214003,oxide,Ca4Sm2Cu3(ClO2)4,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Sm_3', 'Cu_pv', 'Cl', 'O'], 'pot_type': 'paw'}","{'Ca': 4.0, 'Sm': 2.0, 'Cu': 3.0, 'Cl': 4.0, 'O': 8.0}",GGA,mp-1214003,"['mp-1214003', 'mp-1343953', 'mp-1813708']",0.0003256,"{'Ca': 4.0, 'Sm': 2.0, 'Cu': 3.0, 'Cl': 4.0, 'O': 8.0}",327.98110303657296,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, -0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",9.927401212614757e-07,0.0003256,0,0.0003256,MP,data/source/MP/cleaned/cifs/MP-mp-1214003.cif,False,,data/final/MP/graphs/Ca4Cl4Cu3Sm2O8-MP-mp-1214003.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Bi1Hf0.3La0.7S2O1,3,0.12,2.0,False,Bi2Hf0.6La1.4S4O2,Bi2La2S4O2,1.74,Oxide,True,Bi20Hf6La14S40O20,Bi-Hf-La-S-O,5,Supercon,La0.7Hf0.3Bi1S2O1,MP-mp-1078397,La2Bi2S4O2,Bi-La-S-O,Bi20La20S40O20,P 4/n m m,tetragonal,4.055497,4.055497,14.173265,data/final/MP/cifs/Bi1Hf0.3La0.7S2O1-MP-mp-1078397-synth_doped.cif,data/source/MP/raw/cifs/mp-1078397.cif,mp-1078397,1.0743999999999998,,2018-04-11 10:57:38,6.097899749460756,,,{'GGA': {'task_id': 'mp-1676377'}},0.0053330699999989,4.69184382,520.0,-61.66700475,-6.166700475,{'tags': ['Lanthanum bismuth oxodisulphate']},-61.66700475,-6.166700475,-2.09592004425,['bandstructure'],True,[196231],True,2021-05-12 10:58:14.654000,NM,10,5,mp-1078397,oxide,LaBiS2O,"{'functional': 'PBE', 'labels': ['La', 'Bi', 'S', 'O'], 'pot_type': 'paw'}","{'La': 1.0, 'Bi': 1.0, 'S': 2.0, 'O': 1.0}",GGA,mp-1078397,"['mp-1078397', 'mp-1380859', 'mp-1676377', 'mp-1776923', 'mp-1600973']",6.57e-05,"{'La': 2.0, 'Bi': 2.0, 'S': 4.0, 'O': 2.0}",233.1084819815865,[],NM,False,129,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.636860524465146e-07,6.57e-05,0,0.0001314,MP,data/source/MP/cleaned/cifs/MP-mp-1078397.cif,True,,data/final/MP/graphs/Bi1Hf0.3La0.7S2O1-MP-mp-1078397-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Er1Pb1Pd2,1,0.0,1.0,True,Er1Pb1Pd2,Er1Pb1Pd2,0.0,Other,True,Er25Pb25Pd50,Er-Pb-Pd,3,Supercon,Pd2Er1Pb1,MP-mp-1206593,Er1Pd2Pb1,Er-Pb-Pd,Er25Pb25Pd50,F m -3 m,cubic,4.85425977,4.85425977,4.85425977,data/final/MP/cifs/Er1Pb1Pd2-MP-mp-1206593.cif,data/source/MP/raw/cifs/mp-1206593.cif,mp-1206593,0.0,,2019-01-12 09:52:22.499000,12.057417996117543,,,{'GGA': {'task_id': 'mp-1765969'}},0.0167336416666668,6.00688851,520.0,-21.47610856,-5.36902714,"{'tags': ['b.c.c. atom arrangement', 'Cu2MnAl', 'ErPd2Pb']}",-21.47610856,-5.36902714,-0.7089947649999999,['bandstructure'],True,[],True,2021-05-12 10:58:37.524000,NM,4,5,mp-1206593,,ErPd2Pb,"{'functional': 'PBE', 'labels': ['Er_3', 'Pd', 'Pb_d'], 'pot_type': 'paw'}","{'Er': 1.0, 'Pd': 2.0, 'Pb': 1.0}",GGA,mp-1206593,"['mp-1206593', 'mp-1418550', 'mp-1765969', 'mp-1798551', 'mp-1613575']",0.0009919,"{'Er': 1.0, 'Pd': 2.0, 'Pb': 1.0}",80.88240231773798,[],NM,False,225,0,"[0, 0, 0, 0]",1.2263483422554951e-05,0.0009919,0,0.0009919,MP,data/source/MP/cleaned/cifs/MP-mp-1206593.cif,False,,data/final/MP/graphs/Er1Pb1Pd2-MP-mp-1206593.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Bi2Ca0.8Cu2I1Sr2Y0.2O8,3,0.0249999999999999,2.0,False,Bi4Ca1.6Cu4I2Sr4Y0.4O16,Bi4Ca2Cu4I2Sr4O16,75.0,Cuprate,True,Bi12.5Ca5Cu12.5I6.25Sr12.5Y1.25O50,Bi-Ca-Cu-I-Sr-Y-O,7,Supercon,Bi2Sr2Ca0.8Y0.2Cu2I1O8,MP-mp-1209124,Sr4Ca2Cu4Bi4I2O16,Bi-Ca-Cu-I-Sr-O,Bi12.5Ca6.25Cu12.5I6.25Sr12.5O50,P m n a,orthorhombic,5.21493,5.481615,19.120353,data/final/MP/cifs/Bi2Ca0.8Cu2I1Sr2Y0.2O8-MP-mp-1209124-synth_doped.cif,data/source/MP/raw/cifs/mp-1209124.cif,mp-1209124,0.0,,2019-01-12 11:54:40.777000,6.168902819730907,,,,0.092595106494147,3.5592228,520.0,-175.92812723,-5.4977539759375,{'tags': ['Sr2CaCu2Bi2IO8']},-175.92812723,-5.4977539759375,-1.9605183883333333,[],False,[],True,2021-05-12 11:00:21.818000,NM,32,3,mp-1209124,oxide,Sr2CaCu2Bi2IO8,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Ca_sv', 'Cu_pv', 'Bi', 'I', 'O'], 'pot_type': 'paw'}","{'Sr': 2.0, 'Ca': 1.0, 'Cu': 2.0, 'Bi': 2.0, 'I': 1.0, 'O': 8.0}",GGA,mp-1209124,"['mp-1209124', 'mp-1361882', 'mp-1929533']",0.31195235,"{'Sr': 4.0, 'Ca': 2.0, 'Cu': 4.0, 'Bi': 4.0, 'I': 2.0, 'O': 16.0}",546.5789712906787,[],NM,False,53,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0011414721984761,0.31195235,0,0.6239047,MP,data/source/MP/cleaned/cifs/MP-mp-1209124.cif,True,,data/final/MP/graphs/Bi2Ca0.8Cu2I1Sr2Y0.2O8-MP-mp-1209124-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Li0.68Nb1O2,3,0.1304347826086956,2.0,False,Li1.36Nb2O4,Li2Nb2O4,5.15,Oxide,True,Li18.478Nb27.174O54.347826086956516,Li-Nb-O,3,Supercon,Li0.68Nb1O2,MP-mp-3924,Li2Nb2O4,Li-Nb-O,Li25Nb25O50,P 63/m m c,hexagonal,2.9382460015394085,2.9382462799999995,10.596158,data/final/MP/cifs/Li0.68Nb1O2-MP-mp-3924-synth_doped.cif,data/source/MP/raw/cifs/mp-3924.cif,mp-3924,1.5790999999999995,,2011-05-13 04:22:15,5.52702240821137,10.17188/1207632,"@misc{osti_1207632,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LiNbO2 (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1207632"",
    place = ""United States"",
    year = ""2014"",
    month = ""7"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668027'}},0.0,5.23533304,520.0,-62.55535775,-7.81941971875,"{'tags': ['Lithium niobate(III)', 'Lithium dioxoniobate(III)', 'Lithium niobium(III) oxide', 'Lithium niobium oxide (1/1/2)']}",-62.55535775,-7.81941971875,-2.6863822395833346,"['xas', 'bandstructure', 'diel', 'phonons', 'elasticity']",True,"[73110, 451, 75880, 42008, 300243, 73109]",True,2021-05-12 10:56:20.740000,NM,8,9,mp-3924,oxide,LiNbO2,"{'functional': 'PBE', 'labels': ['Li_sv', 'Nb_pv', 'O'], 'pot_type': 'paw'}","{'Li': 1.0, 'Nb': 1.0, 'O': 2.0}",GGA,mp-3924,"['mp-661378', 'mp-662116', 'mp-660656', 'mp-3924', 'mp-1140636', 'mp-32179', 'mp-1438926', 'mp-1668027', 'mp-1801445']",2.5e-07,"{'Li': 2.0, 'Nb': 2.0, 'O': 4.0}",79.22375431180008,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",6.311238394890443e-09,2.5e-07,0,5e-07,MP,data/source/MP/cleaned/cifs/MP-mp-3924.cif,True,,data/final/MP/graphs/Li0.68Nb1O2-MP-mp-3924-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Pt0.52W0.48,2,0.04,2.0,False,Pt1.04W0.96,Pt1W1,1.35,Other,True,Pt52W48,Pt-W,2,Supercon,Pt0.52W0.48,MP-mp-1219711,Pt1W1,Pt-W,Pt50W50,R -3 m,trigonal,2.8133717810556305,2.813371781055631,4.88791014,data/final/MP/cifs/Pt0.52W0.48-MP-mp-1219711-synth_doped.cif,data/source/MP/raw/cifs/mp-1219711.cif,mp-1219711,0.0,,2019-01-12 20:40:23.171000,19.91145394563403,,,{'GGA': {'task_id': 'mp-1674667'}},0.2065451150000008,7.59110784,520.0,-19.12008856,-9.56004428,{'tags': []},-19.12008856,-9.56004428,-0.0455271899999996,['bandstructure'],True,[],True,2021-05-12 10:58:41.460000,NM,2,5,mp-1219711,,PtW,"{'functional': 'PBE', 'labels': ['Pt', 'W_pv'], 'pot_type': 'paw'}","{'Pt': 1.0, 'W': 1.0}",GGA,mp-1219711,"['mp-1219711', 'mp-1414335', 'mp-1674667', 'mp-1792593', 'mp-1609705']",1e-06,"{'Pt': 1.0, 'W': 1.0}",31.60081162281504,[],NM,False,166,0,"[0, 0]",3.164475684789132e-08,1e-06,0,1e-06,MP,data/source/MP/cleaned/cifs/MP-mp-1219711.cif,True,,data/final/MP/graphs/Pt0.52W0.48-MP-mp-1219711-synth_doped.json,0,True,-3m,0,0,0,0,0,0,6,1,0,0,0,1.0,False
Cu1La2O4,1,0.0,1.0,True,Cu1La2O4,Cu1La2O4,0.0,Cuprate,True,Cu14.286La28.571O57.142857142857146,Cu-La-O,3,Supercon,La2Sr0Cu1Zn0O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La2O4-MP-mp-1077929.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,False,,data/final/MP/graphs/Cu1La2O4-MP-mp-1077929.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Re2Si1,1,0.0,8.0,False,Re16Si8,Re16Si8,3.8,Other,True,Re66.667Si33.333,Re-Si,2,Supercon,Re2Si1,MP-mp-669547,Re16Si8,Re-Si,Re66.667Si33.333,P 1 21/c 1,monoclinic,5.858511,5.97292905,10.027594,data/final/MP/cifs/Re2Si1-MP-mp-669547.cif,data/source/MP/raw/cifs/mp-669547.cif,mp-669547,0.0,,2013-10-06 06:51:53,15.197383344245065,10.17188/1281704,"@misc{osti_1281704,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Re2Si (SG:14) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1281704"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1688652'}},0.3306647458333316,8.6013382,520.0,-239.89578726,-9.9956578025,{'tags': ['Rhenium silicide (2/1)']},-239.89578726,-9.9956578025,0.1327983275000003,"['xas', 'bandstructure']",True,[57480],True,2021-05-12 10:57:32.679000,NM,24,9,mp-669547,,Re2Si,"{'functional': 'PBE', 'labels': ['Re_pv', 'Si'], 'pot_type': 'paw'}","{'Re': 2.0, 'Si': 1.0}",GGA,mp-669547,"['mp-925803', 'mp-669547', 'mp-940225', 'mp-940642', 'mp-1260595', 'mp-1425189', 'mp-1688652', 'mp-1838341', 'mp-1611148']",0.001404675,"{'Re': 16.0, 'Si': 8.0}",350.0839852963796,[],NM,False,14,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.209915469422706e-05,0.001404675,0,0.0112374,MP,data/source/MP/cleaned/cifs/MP-mp-669547.cif,False,,data/final/MP/graphs/Re2Si1-MP-mp-669547.json,0,True,2/m,0,0,3,0,0,0,0,1,0,0,0,1.0,False
Fe1.63K0.82Se2,3,0.098876404494382,1.0,True,Fe1.63K0.82Se2,Fe2K1Se2,32.0,Ferrite,True,Fe36.629K18.427Se44.944,Fe-K-Se,3,Supercon,K0.82Fe1.63Se2,MP-mp-1070735,K1Fe2Se2,Fe-K-Se,Fe40K20Se40,I 4/m m m,tetragonal,3.783558000712664,3.783558000712664,7.91886339,data/final/MP/cifs/Fe1.63K0.82Se2-MP-mp-1070735-synth_doped.cif,data/source/MP/raw/cifs/mp-1070735.cif,mp-1070735,0.0,,2018-03-22 03:52:22,4.804538531009527,,,{'GGA': {'task_id': 'mp-1761650'}},0.0327827750000011,3.42423866,520.0,-27.50456218,-5.500912436,{'tags': ['Potassium iron selenide (1/2/2)']},-27.50456218,-5.500912436,-0.6812646755374999,['bandstructure'],True,[186573],True,2021-05-12 10:58:14.654000,FM,5,8,mp-1070735,,K(FeSe)2,"{'functional': 'PBE', 'labels': ['K_sv', 'Fe_pv', 'Se'], 'pot_type': 'paw'}","{'K': 1.0, 'Fe': 2.0, 'Se': 2.0}",GGA,mp-1070735,"['mp-1070735', 'mp-1070765', 'mp-1070841', 'mp-1416829', 'mp-1761650', 'mp-1797161', 'mp-1585994', 'mp-1070830']",6.0503851,"{'K': 1.0, 'Fe': 2.0, 'Se': 2.0}",106.69540665041993,[],FM,True,139,1,"[0.0, 2.8, 2.8, 0.0, 0.0]",0.0567070813069176,6.0503851,2,6.0503851,MP,data/source/MP/cleaned/cifs/MP-mp-1070735.cif,True,,data/final/MP/graphs/Fe1.63K0.82Se2-MP-mp-1070735-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Mo0.3Si1,2,0.0384615384615384,6.0,False,Mo1.8Si6,Mo2Si6,11.7,Other,True,Mo23.077Si76.923,Mo-Si,2,Supercon,Mo0.3Si1,MP-mp-978525,Si6Mo2,Mo-Si,Mo25Si75,P 63/m m c,hexagonal,4.840019,5.210283998323828,5.2102846,data/final/MP/cifs/Mo0.3Si1-MP-mp-978525-synth_doped.cif,data/source/MP/raw/cifs/mp-978525.cif,mp-978525,0.0,,2015-10-07 02:26:50,5.2592629713772565,10.17188/1315941,"@misc{osti_1315941,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Si3Mo (SG:194) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1315941"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1751062'}},0.6733038650000003,10.34102129,520.0,-52.27254718,-6.5340683975,{'tags': []},-52.27254718,-6.5340683975,0.2995778749999997,"['xas', 'elasticity', 'bandstructure']",True,[],True,2021-05-12 10:56:37.246000,NM,8,10,mp-978525,,Si3Mo,"{'functional': 'PBE', 'labels': ['Si', 'Mo_pv'], 'pot_type': 'paw'}","{'Si': 3.0, 'Mo': 1.0}",GGA,mp-978525,"['mp-978663', 'mp-978816', 'mp-978525', 'mp-1172401', 'mp-1259398', 'mp-1443458', 'mp-1751062', 'mp-1803933', 'mp-978913', 'mp-1620436']",3.775e-05,"{'Si': 6.0, 'Mo': 2.0}",113.78907255372648,[],NM,False,194,0,"[0, 0, 0, 0, 0, 0, 0, 0]",6.635083519496307e-07,3.775e-05,0,7.55e-05,MP,data/source/MP/cleaned/cifs/MP-mp-978525.cif,True,,data/final/MP/graphs/Mo0.3Si1-MP-mp-978525-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
B6Ho0.01Y0.99,2,0.0028571428571428,1.0,True,B6Ho0.01Y0.99,B6Y1,0.0,Other,True,B85.714Ho0.143Y14.143,B-Ho-Y,3,Supercon,B6Ho0.01Y0.99,MP-mp-2203,Y1B6,B-Y,B85.714Y14.286,P m -3 m,cubic,4.1021,4.1021,4.1021,data/final/MP/cifs/B6Ho0.01Y0.99-MP-mp-2203-synth_doped.cif,data/source/MP/raw/cifs/mp-2203.cif,mp-2203,0.0,,2011-05-12 20:11:15,3.699194842606093,10.17188/1197299,"@misc{osti_1197299,
    author = ""Persson, Kristin"",
    title = ""Materials Data on YB6 (SG:221) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1197299"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1686414'}},0.0285229421428576,6.62579631,520.0,-49.33978236,-7.048540337142858,"{'tags': ['Yttrium boride (1/6)', 'Yttrium octahedro-hexaboride', 'Yttrium hexaboride']}",-49.33978236,-7.048540337142858,-0.3995658030952376,"['xas', 'elasticity', 'bandstructure']",True,"[194635, 615723, 54730, 615726, 615714, 659505, 76126, 615728, 615710]",True,2021-05-12 10:56:16.728000,NM,7,9,mp-2203,,YB6,"{'functional': 'PBE', 'labels': ['Y_sv', 'B'], 'pot_type': 'paw'}","{'Y': 1.0, 'B': 6.0}",GGA,mp-2203,"['mp-1000404', 'mp-1006875', 'mp-2203', 'mp-1077859', 'mp-1440131', 'mp-1686414', 'mp-1801281', 'mp-1011609', 'mp-1592923']",3.48e-05,"{'Y': 1.0, 'B': 6.0}",69.026957252261,[],NM,False,221,0,"[0, 0, 0, 0, 0, 0, 0]",5.041508620005138e-07,3.48e-05,0,3.48e-05,MP,data/source/MP/cleaned/cifs/MP-mp-2203.cif,True,,data/final/MP/graphs/B6Ho0.01Y0.99-MP-mp-2203-synth_doped.json,0,True,m-3m,6,0,0,0,0,0,0,1,0,0,0,1.0,False
Au0.9Nb3Rh0.1,2,0.0499999999999999,1.0,True,Au0.9Nb3Rh0.1,Au1Nb3,10.8,Other,True,Au22.5Nb75Rh2.5,Au-Nb-Rh,3,Supercon,Nb3Rh0.1Au0.9,MP-mp-1220645,Nb3Au1,Au-Nb,Au25Nb75,C m m m,orthorhombic,2.8256924000000003,2.8256924,9.314665,data/final/MP/cifs/Au0.9Nb3Rh0.1-MP-mp-1220645-synth_doped.cif,data/source/MP/raw/cifs/mp-1220645.cif,mp-1220645,0.0,,2019-01-12 21:27:35.806000,10.906576218653324,,,{'GGA': {'task_id': 'mp-1767853'}},0.0207435650000036,5.24602198,520.0,-33.86354254,-8.465885635,{'tags': []},-33.86354254,-8.465885635,-0.07143647,['bandstructure'],True,[],True,2021-05-12 10:58:43.502000,NM,4,5,mp-1220645,,Nb3Au,"{'functional': 'PBE', 'labels': ['Nb_pv', 'Au'], 'pot_type': 'paw'}","{'Nb': 3.0, 'Au': 1.0}",GGA,mp-1220645,"['mp-1220645', 'mp-1416545', 'mp-1767853', 'mp-1799245', 'mp-1612990']",0.0051374,"{'Nb': 3.0, 'Au': 1.0}",72.42370908909766,[],NM,False,65,0,"[0, 0, 0, 0]",7.093533408624279e-05,0.0051374,0,0.0051374,MP,data/source/MP/cleaned/cifs/MP-mp-1220645.cif,True,,data/final/MP/graphs/Au0.9Nb3Rh0.1-MP-mp-1220645-synth_doped.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False
Cu1La1.9Na0.1O4,2,0.0285714285714285,1.0,True,Cu1La1.9Na0.1O4,Cu1La2O4,0.0,Cuprate,True,Cu14.286La27.143Na1.429O57.142857142857146,Cu-La-Na-O,4,Supercon,La1.9Na0.1Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Cu1La1.9Na0.1O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Cu1La1.9Na0.1O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Al0.05B2Mg0.95,2,0.0333333333333333,1.0,True,Al0.05B2Mg0.95,B2Mg1,36.46666667,Other,True,Al1.667B66.667Mg31.667,Al-B-Mg,3,Supercon,Mg0.95Al0.05B2,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/Al0.05B2Mg0.95-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/Al0.05B2Mg0.95-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Co1Sn2,1,0.0,2.0,False,Co2Sn4,Co2Sn4,0.0,Other,True,Co33.333Sn66.667,Co-Sn,2,Supercon,Co1Sn2,MP-mp-20155,Co2Sn4,Co-Sn,Co33.333Sn66.667,I 4/m c m,tetragonal,5.275760339272534,5.27576034,5.275760339999999,data/final/MP/cifs/Co1Sn2-MP-mp-20155.cif,data/source/MP/raw/cifs/mp-20155.cif,mp-20155,0.0,,2014-02-21 15:08:34,8.839862794451069,10.17188/1195297,"@misc{osti_1195297,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CoSn2 (SG:140) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195297"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-920263'}},0.0129276698611109,9.36388819,520.0,-30.61592764,-5.1026546066666665,"{'tags': ['Cobalt tin (1/2)', 'Cobalt stannide (1/2)']}",-30.61592764,-5.1026546066666665,-0.0601674383333333,"['xas', 'elasticity', 'bandstructure']",True,"[102672, 247484, 625269, 625263, 409910, 625260, 108319]",True,2021-05-12 10:56:14.760000,NM,6,9,mp-20155,,CoSn2,"{'functional': 'PBE', 'labels': ['Co', 'Sn_d'], 'pot_type': 'paw'}","{'Co': 1.0, 'Sn': 2.0}",GGA,mp-20155,"['mp-921274', 'mp-906556', 'mp-920263', 'mp-20155', 'mp-1077091', 'mp-1077257', 'mp-1476053', 'mp-1802838', 'mp-1594993']",0.0001172,"{'Co': 2.0, 'Sn': 4.0}",111.33794024905704,[],NM,False,140,0,"[0, 0, 0, 0, 0, 0]",2.105302105245163e-06,0.0001172,0,0.0002344,MP,data/source/MP/cleaned/cifs/MP-mp-20155.cif,False,,data/final/MP/graphs/Co1Sn2-MP-mp-20155.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Mo3S2Se2,1,0.0,2.0,False,Mo6S4Se4,Mo6S4Se4,3.3,Chevrel,True,Mo42.857S28.571Se28.571,Mo-S-Se,3,Supercon,Mo3S2Se2,MP-mp-1221501,Mo6Se4S4,Mo-S-Se,Mo42.857S28.571Se28.571,P 1,triclinic,6.538654,6.60924352,6.60983169,data/final/MP/cifs/Mo3S2Se2-MP-mp-1221501.cif,data/source/MP/raw/cifs/mp-1221501.cif,mp-1221501,0.0,,2019-01-12 22:11:01.678000,5.935553656982709,,,{'GGA': {'task_id': 'mp-1729410'}},0.0612699221428565,4.98181663,520.0,-103.98120641,-7.427229029285714,{'tags': []},-103.98120641,-7.427229029285714,-0.8769930608482142,[],False,[],True,2021-05-12 11:00:47.244000,NM,14,4,mp-1221501,,Mo3(SeS)2,"{'functional': 'PBE', 'labels': ['Mo_pv', 'Se', 'S'], 'pot_type': 'paw'}","{'Mo': 3.0, 'Se': 2.0, 'S': 2.0}",GGA,mp-1221501,"['mp-1221501', 'mp-1406699', 'mp-1729410', 'mp-1928321']",0.0002675,"{'Mo': 6.0, 'Se': 4.0, 'S': 4.0}",285.28393569193486,[],NM,False,1,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.875324661034269e-06,0.0002675,0,0.000535,MP,data/source/MP/cleaned/cifs/MP-mp-1221501.cif,False,,data/final/MP/graphs/Mo3S2Se2-MP-mp-1221501.json,0,True,1,0,0,0,0,0,1,0,1,0,0,0,1.0,False
Ho1Rh1Si1,1,0.0,4.0,False,Ho4Rh4Si4,Ho4Rh4Si4,0.0,Other,True,Ho33.333Rh33.333Si33.333,Ho-Rh-Si,3,Supercon,Ho1Rh1Si1,MP-mp-20675,Ho4Si4Rh4,Ho-Rh-Si,Ho33.333Rh33.333Si33.333,P n m a,orthorhombic,4.240956,6.883967,7.400438,data/final/MP/cifs/Ho1Rh1Si1-MP-mp-20675.cif,data/source/MP/raw/cifs/mp-20675.cif,mp-20675,0.0,,2014-02-22 09:49:25,9.097569319346464,10.17188/1195835,"@misc{osti_1195835,
    author = ""Persson, Kristin"",
    title = ""Materials Data on HoSiRh (SG:62) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195835"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1698140'}},0.0,6.11489544,520.0,-82.21055228,-6.850879356666667,"{'tags': ['Holmium rhodium silicide (1/1/1)', 'Holmium rhodium silicon (1/1/1)']}",-82.21055228,-6.850879356666667,-1.0365357699999993,"['xas', 'bandstructure']",True,"[56240, 56239]",True,2021-05-12 10:56:57.051000,NM,12,7,mp-20675,,HoSiRh,"{'functional': 'PBE', 'labels': ['Ho_3', 'Si', 'Rh_pv'], 'pot_type': 'paw'}","{'Ho': 1.0, 'Si': 1.0, 'Rh': 1.0}",GGA,mp-20675,"['mp-990686', 'mp-20675', 'mp-1143229', 'mp-1418954', 'mp-1698140', 'mp-1830616', 'mp-1598137']",2.175e-06,"{'Ho': 4.0, 'Si': 4.0, 'Rh': 4.0}",216.0528357634496,[],NM,False,62,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",4.026792783930592e-08,2.175e-06,0,8.7e-06,MP,data/source/MP/cleaned/cifs/MP-mp-20675.cif,False,,data/final/MP/graphs/Ho1Rh1Si1-MP-mp-20675.json,0,True,mmm,0,0,0,7,0,0,0,1,0,0,0,1.0,False
Fe0.33Ni0.67Zr2,3,0.1133333333333333,2.0,False,Fe0.66Ni1.34Zr4,Fe1Ni1Zr4,2.13,Other,True,Fe11Ni22.333Zr66.667,Fe-Ni-Zr,3,Supercon,Fe0.33Ni0.67Zr2,MP-mp-1215366,Zr4Fe1Ni1,Fe-Ni-Zr,Fe16.667Ni16.667Zr66.667,I 4 2 2,tetragonal,5.277062429600079,5.27706243,5.27706243,data/final/MP/cifs/Fe0.33Ni0.67Zr2-MP-mp-1215366-synth_doped.cif,data/source/MP/raw/cifs/mp-1215366.cif,mp-1215366,0.0,,2019-01-12 17:04:02.444000,7.137405118353338,,,{'GGA': {'task_id': 'mp-1735927'}},0.0198735593333339,4.811196,520.0,-49.72189863,-8.286983105,{'tags': []},-49.72189863,-8.286983105,-0.21349183,['bandstructure'],True,[],True,2021-05-12 10:58:39.488000,FM,6,5,mp-1215366,,Zr4FeNi,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Fe_pv', 'Ni_pv'], 'pot_type': 'paw'}","{'Zr': 4.0, 'Fe': 1.0, 'Ni': 1.0}",GGA,mp-1215366,"['mp-1215366', 'mp-1445478', 'mp-1735927', 'mp-1803005', 'mp-1627881']",0.2630035,"{'Zr': 4.0, 'Fe': 1.0, 'Ni': 1.0}",111.54187521523264,[],FM,True,97,1,"[0.0, 0.0, 0.0, 0.0, 0.3, 0.0]",0.0023578902496708,0.2630035,1,0.2630035,MP,data/source/MP/cleaned/cifs/MP-mp-1215366.cif,True,,data/final/MP/graphs/Fe0.33Ni0.67Zr2-MP-mp-1215366-synth_doped.json,0,True,422,0,0,0,0,4,0,0,0,0,1,0,1.0,False
Ca1.75Cl2Cu1Na0.25O2,3,0.0714285714285714,1.0,True,Ca1.75Cl2Cu1Na0.25O2,Ca2Cl2Cu1O2,26.5,Cuprate,True,Ca25Cl28.571Cu14.286Na3.571O28.571428571428573,Ca-Cl-Cu-Na-O,5,Supercon,Ca1.75Na0.25Cu1Cl2O2,MP-mp-23143,Ca2Cu1Cl2O2,Ca-Cl-Cu-O,Ca28.571Cl28.571Cu14.286O28.571428571428573,I 4/m m m,tetragonal,3.88024600076171,3.880246000761709,8.12907187,data/final/MP/cifs/Ca1.75Cl2Cu1Na0.25O2-MP-mp-23143-synth_doped.cif,data/source/MP/raw/cifs/mp-23143.cif,mp-23143,0.0,,2014-02-21 09:50:06,3.554337150605878,10.17188/1199263,"@misc{osti_1199263,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ca2Cu(ClO)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1199263"",
    place = ""United States"",
    year = ""2016"",
    month = ""3"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1700223'}},0.0191527683333321,4.19679796,520.0,-35.95348475,-5.136212107142858,"{'tags': ['Dicalcium copper dioxide dichloride', 'Dicalcium dichlorodioxocuprate']}",-35.95348475,-5.136212107142858,-2.407440427142858,"['xas', 'elasticity', 'bandstructure']",True,"[1027, 83117, 41581]",True,2021-05-12 10:56:16.728000,NM,7,8,mp-23143,oxide,Ca2Cu(ClO)2,"{'functional': 'PBE', 'labels': ['Ca_sv', 'Cu_pv', 'Cl', 'O'], 'pot_type': 'paw'}","{'Ca': 2.0, 'Cu': 1.0, 'Cl': 2.0, 'O': 2.0}",GGA,mp-23143,"['mp-992231', 'mp-990553', 'mp-23143', 'mp-1436301', 'mp-1700223', 'mp-1803462', 'mp-993865', 'mp-1592909']",0.0134962,"{'Ca': 2.0, 'Cu': 1.0, 'Cl': 2.0, 'O': 2.0}",115.21141865211318,[],NM,False,139,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0001171429026557,0.0134962,0,0.0134962,MP,data/source/MP/cleaned/cifs/MP-mp-23143.cif,True,,data/final/MP/graphs/Ca1.75Cl2Cu1Na0.25O2-MP-mp-23143-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Fe1S0.09Se0.91,3,0.0899999999999999,2.0,False,Fe2S0.18Se1.82,Fe2Se2,10.1,Ferrite,True,Fe50S4.5Se45.5,Fe-S-Se,3,Supercon,Fe1Se0.91S0.09,MP-mp-20311,Fe2Se2,Fe-Se,Fe50Se50,P 4/n m m,tetragonal,3.688905,3.688905,5.854194,data/final/MP/cifs/Fe1S0.09Se0.91-MP-mp-20311-synth_doped.cif,data/source/MP/raw/cifs/mp-20311.cif,mp-20311,0.0,,2013-10-20 07:09:24,5.619828229873189,10.17188/1195438,"@misc{osti_1195438,
    author = ""Persson, Kristin"",
    title = ""Materials Data on FeSe (SG:129) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195438"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668877'}},0.0,3.48880228,520.0,-25.01949237,-6.2548730925,"{'tags': ['Iron selenide - NN AFM', 'Iron selenide - orthorhombic, LT', 'Iron selenide', 'Iron sulfide', 'Iron selenide (1/1) - nonmagnetic', 'Iron selenide - tetragonal', 'Iron selenide - alpha LT', 'Iron selenide - LT', 'High pressure experimental phase', 'Iron selenide - alpha']}",-25.01949237,-6.2548730925,-0.5079131286718743,"['xas', 'elasticity', 'bandstructure']",True,"[196301, 196298, 196299, 196297, 290701, 165958, 185464, 163561, 169257, 163560, 977900, 169311, 169303, 26889, 166440, 162901, 169283, 165957, 169271, 977903, 169259, 977901, 185465, 165959, 169306, 169267, 163557, 169287, 169297, 169289, 163556, 169299, 163562, 166441, 182544, 163559, 169269, 169263, 169265, 169315, 169255, 166439, 169293, 169313, 163555, 169291, 169301, 165960, 169253, 169295, 169970, 163558, 169285, 169261, 169309]",True,2021-05-12 10:56:14.760000,NM,4,55,mp-20311,,FeSe,"{'functional': 'PBE', 'labels': ['Fe_pv', 'Se'], 'pot_type': 'paw'}","{'Fe': 1.0, 'Se': 1.0}",GGA,mp-20311,"['mp-684656', 'mp-20311', 'mp-1063646', 'mp-1063662', 'mp-1063681', 'mp-1063669', 'mp-1063680', 'mp-1063695', 'mp-1063686', 'mp-1063699', 'mp-1063715', 'mp-1063717', 'mp-1063876', 'mp-1063734', 'mp-1063891', 'mp-1063735', 'mp-1063910', 'mp-1063918', 'mp-1063922', 'mp-1063931', 'mp-1063774', 'mp-1063781', 'mp-1064091', 'mp-1064111', 'mp-1063801', 'mp-1064112', 'mp-1064180', 'mp-1064138', 'mp-1064153', 'mp-1065102', 'mp-1065123', 'mp-1065075', 'mp-1065161', 'mp-1065131', 'mp-1065030', 'mp-1065055', 'mp-1065085', 'mp-1065094', 'mp-1440814', 'mp-1668877', 'mp-1799618', 'mp-1593782', 'mp-1592730', 'mp-1065081', 'mp-1065148', 'mp-1063928', 'mp-1063726', 'mp-1063683', 'mp-1063709', 'mp-1063911', 'mp-1063795', 'mp-1065121', 'mp-1063725', 'mp-1064139', 'mp-1064165']",3.455e-05,"{'Fe': 2.0, 'Se': 2.0}",79.66398961559156,[],NM,False,129,0,"[0, 0, 0, 0]",8.673931638803586e-07,3.455e-05,0,6.91e-05,MP,data/source/MP/cleaned/cifs/MP-mp-20311.cif,True,,data/final/MP/graphs/Fe1S0.09Se0.91-MP-mp-20311-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ba0.045Cu1La1.955O4,2,0.0128571428571428,1.0,True,Ba0.045Cu1La1.955O4,Cu1La2O4,0.0,Cuprate,True,Ba0.643Cu14.286La27.929O57.142857142857146,Ba-Cu-La-O,4,Supercon,La1.955Ba0.045Cu1O4,MP-mp-1077929,La2Cu1O4,Cu-La-O,Cu14.286La28.571O57.142857142857146,I 4/m m m,tetragonal,4.008631997283413,4.0086319972834135,6.92423226,data/final/MP/cifs/Ba0.045Cu1La1.955O4-MP-mp-1077929-synth_doped.cif,data/source/MP/raw/cifs/mp-1077929.cif,mp-1077929,0.0,,2018-04-10 02:46:14,6.630535012320788,,,{'GGA': {'task_id': 'mp-1699222'}},0.0,6.19298461,520.0,-52.30921997,-7.47274571,"{'tags': ['Dilanthanum tetraoxocuprate(II) - T', ""Dilanthanum copper tetraoxide - T'"", 'Dilanthanum tetraoxocuprate(II) - T phase, HT']}",-52.30921997,-7.47274571,-3.0420221528571423,['bandstructure'],True,"[180586, 261659, 261660, 421550]",True,2021-05-12 10:58:14.654000,NM,7,8,mp-1077929,oxide,La2CuO4,"{'functional': 'PBE', 'labels': ['La', 'Cu_pv', 'O'], 'pot_type': 'paw'}","{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",GGA,mp-1077929,"['mp-1077929', 'mp-1078177', 'mp-1078187', 'mp-1078189', 'mp-1442004', 'mp-1699222', 'mp-1924066', 'mp-1589927']",0.0003131,"{'La': 2.0, 'Cu': 1.0, 'O': 4.0}",101.5162499320058,[],NM,False,139,0,"[0, 0, 0, 0, 0, 0, 0]",3.084235284594438e-06,0.0003131,0,0.0003131,MP,data/source/MP/cleaned/cifs/MP-mp-1077929.cif,True,,data/final/MP/graphs/Ba0.045Cu1La1.955O4-MP-mp-1077929-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ce0.85Co1In5La0.15,2,0.0428571428571428,1.0,True,Ce0.85Co1In5La0.15,Ce1Co1In5,0.78,Heavy_fermion,True,Ce12.143Co14.286In71.429La2.143,Ce-Co-In-La,4,Supercon,Ce0.85La0.15Co1In5,MP-mp-19961,Ce1In5Co1,Ce-Co-In,Ce14.286Co14.286In71.429,P 4/m m m,tetragonal,4.635989,4.635989,7.564124,data/final/MP/cifs/Ce0.85Co1In5La0.15-MP-mp-19961-synth_doped.cif,data/source/MP/raw/cifs/mp-19961.cif,mp-19961,0.0,,2014-02-21 14:08:25,7.897022127398995,10.17188/1195145,"@misc{osti_1195145,
    author = ""Persson, Kristin"",
    title = ""Materials Data on CeIn5Co (SG:123) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1195145"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1701944'}},0.0,7.80626318,520.0,-28.52795357,-4.075421938571429,{'tags': ['Cerium cobalt indium (1/1/5)']},-28.52795357,-4.075421938571429,-0.2468754242857146,"['xas', 'bandstructure']",True,[102108],True,2021-05-12 10:56:57.051000,FM,7,8,mp-19961,,CeIn5Co,"{'functional': 'PBE', 'labels': ['Ce', 'In_d', 'Co'], 'pot_type': 'paw'}","{'Ce': 1.0, 'In': 5.0, 'Co': 1.0}",GGA,mp-19961,"['mp-928775', 'mp-912209', 'mp-928270', 'mp-19961', 'mp-1504062', 'mp-1701944', 'mp-1785253', 'mp-1593180']",0.9310323,"{'Ce': 1.0, 'In': 5.0, 'Co': 1.0}",162.57113333428427,[],FM,True,123,1,"[0.7, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]",0.0057269226147644,0.9310323,1,0.9310323,MP,data/source/MP/cleaned/cifs/MP-mp-19961.cif,True,,data/final/MP/graphs/Ce0.85Co1In5La0.15-MP-mp-19961-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Al1Ge1Sr1,1,0.0,1.0,True,Al1Ge1Sr1,Al1Ge1Sr1,6.7,Other,True,Al33.333Ge33.333Sr33.333,Al-Ge-Sr,3,Supercon,Sr1Al1Ge1,MP-mp-13311,Sr1Al1Ge1,Al-Ge-Sr,Al33.333Ge33.333Sr33.333,P -6 m 2,hexagonal,4.328426001395932,4.32842611,4.766326,data/final/MP/cifs/Al1Ge1Sr1-MP-mp-13311.cif,data/source/MP/raw/cifs/mp-13311.cif,mp-13311,0.0,,2011-05-27 18:57:42,4.020470824771902,10.17188/1189514,"@misc{osti_1189514,
    author = ""Persson, Kristin"",
    title = ""Materials Data on SrAlGe (SG:187) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189514"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1668038'}},0.0,3.85248022,520.0,-11.46925415,-3.8230847166666666,{'tags': ['Strontium aluminium germanide (1/1/1)']},-11.46925415,-3.8230847166666666,-0.4703856705555551,"['xas', 'elasticity', 'bandstructure']",True,"[166379, 418391]",True,2021-05-12 10:56:12.755000,NM,3,10,mp-13311,,SrAlGe,"{'functional': 'PBE', 'labels': ['Sr_sv', 'Al', 'Ge_d'], 'pot_type': 'paw'}","{'Sr': 1.0, 'Al': 1.0, 'Ge': 1.0}",GGA,mp-13311,"['mp-1006974', 'mp-1000505', 'mp-13311', 'mp-1115790', 'mp-1248748', 'mp-1438627', 'mp-1668038', 'mp-1798974', 'mp-1011686', 'mp-1586388']",0.0036937,"{'Sr': 1.0, 'Al': 1.0, 'Ge': 1.0}",77.33469618032404,[],NM,False,187,0,"[0, 0, 0]",4.7762520349045774e-05,0.0036937,0,0.0036937,MP,data/source/MP/cleaned/cifs/MP-mp-13311.cif,False,,data/final/MP/graphs/Al1Ge1Sr1-MP-mp-13311.json,0,True,-62m,0,6,0,0,0,0,0,1,0,0,0,1.0,False
B2C1Co2Pr1,1,0.0,1.0,True,B2C1Co2Pr1,B2C1Co2Pr1,0.0,Heavy_fermion,True,B33.333C16.667Co33.333Pr16.667,B-C-Co-Pr,4,Supercon,Pr1Co2B2C1,MP-mp-12985,Pr1Co2B2C1,B-C-Co-Pr,B33.333C16.667Co33.333Pr16.667,I 4/m m m,tetragonal,3.686828001394842,3.686828001394842,5.67469861,data/final/MP/cifs/B2C1Co2Pr1-MP-mp-12985.cif,data/source/MP/raw/cifs/mp-12985.cif,mp-12985,0.0,,2011-05-27 23:55:27,7.087022697481307,10.17188/1189310,"@misc{osti_1189310,
    author = ""Persson, Kristin"",
    title = ""Materials Data on PrCo2B2C (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1189310"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1699339'}},0.0600786072222172,5.34694042,520.0,-43.60863262,-7.268105436666667,{'tags': []},-43.60863262,-7.268105436666667,-0.3375889405555554,"['xas', 'elasticity', 'bandstructure']",True,[157583],True,2021-05-12 10:56:12.755000,FM,6,8,mp-12985,,PrCo2B2C,"{'functional': 'PBE', 'labels': ['Pr_3', 'Co', 'B', 'C'], 'pot_type': 'paw'}","{'Pr': 1.0, 'Co': 2.0, 'B': 2.0, 'C': 1.0}",GGA,mp-12985,"['mp-1001211', 'mp-1007582', 'mp-12985', 'mp-1413114', 'mp-1699339', 'mp-1798476', 'mp-1012336', 'mp-1596245']",0.1496879,"{'Pr': 1.0, 'Co': 2.0, 'B': 2.0, 'C': 1.0}",68.51294765567944,[],FM,True,139,1,"[-0.0, 0.1, 0.1, 0.0, 0.0, 0.0]",0.0021848118512178,0.1496879,2,0.1496879,MP,data/source/MP/cleaned/cifs/MP-mp-12985.cif,False,,data/final/MP/graphs/B2C1Co2Pr1-MP-mp-12985.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
Ba1Ge0.2Ni2P1.8,3,0.0799999999999999,1.0,True,Ba1Ge0.2Ni2P1.8,Ba1Ni2P2,2.59,Ferrite,True,Ba20Ge4Ni40P36,Ba-Ge-Ni-P,4,Supercon,Ba1Ni2Ge0.2P1.8,MP-mp-9473,Ba1Ni2P2,Ba-Ni-P,Ba20Ni40P40,I 4/m m m,tetragonal,3.947297997669611,3.947297997669612,6.57328595,data/final/MP/cifs/Ba1Ge0.2Ni2P1.8-MP-mp-9473-synth_doped.cif,data/source/MP/raw/cifs/mp-9473.cif,mp-9473,0.0,,2011-05-28 05:58:48,5.670682010106403,10.17188/1313267,"@misc{osti_1313267,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ba(NiP)2 (SG:139) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1313267"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1703178'}},0.0,6.04045586,520.0,-28.17358026,-5.634716052,{'tags': ['Barium nickel phosphide (1/2/2)']},-28.17358026,-5.634716052,-0.7735462113333341,"['xas', 'elasticity', 'bandstructure']",True,[85408],True,2021-05-12 10:56:35.166000,NM,5,8,mp-9473,,Ba(NiP)2,"{'functional': 'PBE', 'labels': ['Ba_sv', 'Ni_pv', 'P'], 'pot_type': 'paw'}","{'Ba': 1.0, 'Ni': 2.0, 'P': 2.0}",GGA,mp-9473,"['mp-924273', 'mp-925037', 'mp-909295', 'mp-9473', 'mp-1429988', 'mp-1703178', 'mp-1797689', 'mp-1595208']",0.0002192,"{'Ba': 1.0, 'Ni': 2.0, 'P': 2.0}",92.72755877443632,[],NM,False,139,0,"[0, 0, 0, 0, 0]",2.363914276371852e-06,0.0002192,0,0.0002192,MP,data/source/MP/cleaned/cifs/MP-mp-9473.cif,True,,data/final/MP/graphs/Ba1Ge0.2Ni2P1.8-MP-mp-9473-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,0,0,1,0,1.0,False
B2Fe0.006Mg0.994,2,0.004,1.0,True,B2Fe0.006Mg0.994,B2Mg1,35.6,Other,True,B66.667Fe0.2Mg33.133,B-Fe-Mg,3,Supercon,Mg0.994Fe0.006B2,MP-mp-763,Mg1B2,B-Mg,B66.667Mg33.333,P 6/m m m,hexagonal,3.0736799979435254,3.07368003,3.53435,data/final/MP/cifs/B2Fe0.006Mg0.994-MP-mp-763-synth_doped.cif,data/source/MP/raw/cifs/mp-763.cif,mp-763,0.0,,2011-05-12 17:25:30,2.637300884258781,,,{'GGA': {'task_id': 'mp-1671065'}},0.0,5.98552092,520.0,-15.35008288,-5.1166942933333335,"{'tags': ['Mgnesium boride (1/2)', 'Magnesium boride (1/2)', 'Magnesium boride (1/1)', 'High pressure experimental phase', 'Magensium diboride']}",-15.35008288,-5.1166942933333335,-0.1303397627777774,"['bandstructure', 'elasticity']",True,"[193379, 186389, 94257, 237010, 181869, 96704, 96705, 248441, 96906, 150598, 92831, 155349, 181870, 94256, 182537, 236951, 108064, 93925, 186763, 26675, 248442, 96703, 155347, 153657, 191393, 96706, 92832, 94255, 155348]",True,2021-05-12 10:56:29.056000,NM,3,39,mp-763,,MgB2,"{'functional': 'PBE', 'labels': ['Mg_pv', 'B'], 'pot_type': 'paw'}","{'Mg': 1.0, 'B': 2.0}",GGA,mp-763,"['mp-905361', 'mp-919554', 'mp-918565', 'mp-763', 'mp-1061708', 'mp-1061762', 'mp-1061948', 'mp-1061909', 'mp-1061934', 'mp-1062061', 'mp-1061740', 'mp-1062105', 'mp-1062081', 'mp-1062570', 'mp-1062589', 'mp-1062612', 'mp-1062861', 'mp-1062883', 'mp-1062892', 'mp-1062941', 'mp-1062925', 'mp-1062999', 'mp-1063048', 'mp-1063024', 'mp-1062914', 'mp-1063249', 'mp-1063291', 'mp-1063269', 'mp-1440873', 'mp-1671065', 'mp-1791068', 'mp-1062931', 'mp-1063035', 'mp-1061942', 'mp-1062096', 'mp-1062604', 'mp-1061753', 'mp-1062912', 'mp-1063282']",0.0002484,"{'Mg': 1.0, 'B': 2.0}",28.91728363909158,[],NM,False,191,0,"[0, 0, 0]",8.590018450564375e-06,0.0002484,0,0.0002484,MP,data/source/MP/cleaned/cifs/MP-mp-763.cif,True,,data/final/MP/graphs/B2Fe0.006Mg0.994-MP-mp-763-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
Nd2Rh3Si5,1,0.0,2.0,False,Nd4Rh6Si10,Nd4Rh6Si10,0.0,Other,True,Nd20Rh30Si50,Nd-Rh-Si,3,Supercon,Nd2Rh3Si5,MP-mp-1209907,Nd4Si10Rh6,Nd-Rh-Si,Nd20Rh30Si50,I b a m,orthorhombic,5.877864002552252,8.25631383,8.256313830227304,data/final/MP/cifs/Nd2Rh3Si5-MP-mp-1209907.cif,data/source/MP/raw/cifs/mp-1209907.cif,mp-1209907,0.0,,2019-01-12 12:32:56.628000,7.093666704212631,,,,0.0,7.14185314,520.0,-136.73620961,-6.8368104805000005,"{'tags': ['U2Co3Si5', 'Nd2Rh3Si5']}",-136.73620961,-6.8368104805000005,-0.9612324674999996,[],False,[],True,2021-05-12 11:00:24.227000,NM,20,3,mp-1209907,,Nd2Si5Rh3,"{'functional': 'PBE', 'labels': ['Nd_3', 'Si', 'Rh_pv'], 'pot_type': 'paw'}","{'Nd': 2.0, 'Si': 5.0, 'Rh': 3.0}",GGA,mp-1209907,"['mp-1209907', 'mp-1343928', 'mp-1843936']",0.0006422,"{'Nd': 4.0, 'Si': 10.0, 'Rh': 6.0}",345.33906417977926,[],NM,False,72,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",3.7192432980340656e-06,0.0006422,0,0.0012844,MP,data/source/MP/cleaned/cifs/MP-mp-1209907.cif,False,,data/final/MP/graphs/Nd2Rh3Si5-MP-mp-1209907.json,0,True,mmm,0,0,0,7,0,0,0,0,0,1,0,1.0,False
Ga2Ta3,1,0.0,2.0,False,Ga4Ta6,Ga4Ta6,0.0,Other,True,Ga40Ta60,Ga-Ta,2,Supercon,Ga2Ta3,MP-mp-16756,Ta6Ga4,Ga-Ta,Ga40Ta60,P 4/m b m,tetragonal,3.517445,6.909537,6.909537,data/final/MP/cifs/Ga2Ta3-MP-mp-16756.cif,data/source/MP/raw/cifs/mp-16756.cif,mp-16756,0.0,,2011-06-03 13:00:46,13.493439343054773,10.17188/1192148,"@misc{osti_1192148,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Ta3Ga2 (SG:127) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1192148"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1699707'}},0.0,5.41871545,520.0,-86.03877273,-8.603877273,"{'tags': ['Gallium tantalum (2/3)', 'Tantalum gallide (3/2)']}",-86.03877273,-8.603877273,-0.2779722860000007,"['xas', 'bandstructure']",True,"[107309, 635490, 635467]",True,2021-05-12 10:56:53.126000,NM,10,8,mp-16756,,Ta3Ga2,"{'functional': 'PBE', 'labels': ['Ta_pv', 'Ga_d'], 'pot_type': 'paw'}","{'Ta': 3.0, 'Ga': 2.0}",GGA,mp-16756,"['mp-921419', 'mp-920408', 'mp-906782', 'mp-16756', 'mp-1427419', 'mp-1699707', 'mp-1882765', 'mp-1592513']",0.0004472,"{'Ta': 6.0, 'Ga': 4.0}",167.92880942390747,[],NM,False,127,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",5.326066462736841e-06,0.0004472,0,0.0008944,MP,data/source/MP/cleaned/cifs/MP-mp-16756.cif,False,,data/final/MP/graphs/Ga2Ta3-MP-mp-16756.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Ni1O1,1,0.0,1.0,True,Ni1O1,Ni1O1,0.0,Oxide,True,Ni50O50,Ni-O,2,Supercon,Ni1O1,MP-mp-19009,Ni2O2,Ni-O,Ni50O50,F m -3 m,cubic,2.9801139725413845,2.980049233727354,2.9801104347381555,data/final/MP/cifs/Ni1O1-MP-mp-19009.cif,data/source/MP/raw/cifs/mp-19009.cif,mp-19009,2.4141000000000004,,2013-12-31 22:27:46,6.617519556001579,10.17188/1193796,"@misc{osti_1193796,
    author = ""Persson, Kristin"",
    title = ""Materials Data on NiO (SG:225) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1193796"",
    place = ""United States"",
    year = ""2014"",
    month = ""11"",
    note = ""An optional note""
}
",{'GGA+U': {'task_id': 'mp-1686598'}},0.0,5.97934078,520.0,-19.87253657,-4.9681341425,"{'tags': ['Nickel(II) oxide', 'Bunsenite', 'Nickel oxide']}",-19.87253657,-4.9681341425,-1.2180853000000005,"['diel', 'xas', 'elasticity', 'bandstructure']",True,"[646099, 28910, 9866, 53931, 92128, 24018, 92132, 92131, 166115, 92129, 24014, 76640, 246910, 53930, 166118, 92127, 61324, 92130, 76669, 61318, 166122, 43740, 646098, 76959, 646096, 182948, 76670, 61544, 28834, 184626, 184918, 92133]",True,2021-05-12 10:56:14.760000,AFM,4,70,mp-19009,oxide,NiO,"{'functional': 'PBE', 'labels': ['Ni_pv', 'O'], 'pot_type': 'paw'}","{'Ni': 1.0, 'O': 1.0}",GGA+U,mp-19009,"['mp-796272', 'mp-715434', 'mp-796634', 'mp-19009', 'mp-25710', 'mp-554943', 'mp-19020', 'mp-1057966', 'mp-1057997', 'mp-1057973', 'mp-1058837', 'mp-1058858', 'mp-1058845', 'mp-1059938', 'mp-1059977', 'mp-1059947', 'mp-1060808', 'mp-1060614', 'mp-1060628', 'mp-1060663', 'mp-1060837', 'mp-1060862', 'mp-1061190', 'mp-1061230', 'mp-1061201', 'mp-1140682', 'mp-1180057', 'mp-1232453', 'mp-1232476', 'mp-1232613', 'mp-1232683', 'mp-1232695', 'mp-1232730', 'mp-1232792', 'mp-1232895', 'mp-1237245', 'mp-25673', 'mp-549882', 'mp-825902', 'mp-826619', 'mp-1271954', 'mp-1272013', 'mp-1271839', 'mp-1272133', 'mp-1271758', 'mp-1271819', 'mp-1272115', 'mp-1272057', 'mp-1272889', 'mp-1296040', 'mp-1296155', 'mp-1286521', 'mp-1294513', 'mp-1274571', 'mp-1282360', 'mp-1274625', 'mp-1440850', 'mp-1659578', 'mp-1686598', 'mp-1790734', 'mp-827168', 'mp-1593613', 'mp-797378', 'mp-1594765', 'mp-1060648', 'mp-1059968', 'mp-1061224', 'mp-1057988', 'mp-1058854', 'mp-1060855']",0.0,"{'Ni': 2.0, 'O': 2.0}",37.48543886999308,[],AFM,True,166,1,"[-1.7, 1.7, 0.0, 0.0]",0.0,0.0,2,0.0,MP,data/source/MP/cleaned/cifs/MP-mp-19009.cif,False,,data/final/MP/graphs/Ni1O1-MP-mp-19009.json,0,True,m-3m,6,0,0,0,0,0,0,0,0,0,1,1.0,False
Fe0.06La1Ru2.94Si2,2,0.02,1.0,True,Fe0.06La1Ru2.94Si2,La1Ru3Si2,4.58,Other,True,Fe1La16.667Ru49Si33.333,Fe-La-Ru-Si,4,Supercon,La1Ru2.94Fe0.06Si2,MP-mp-29240,La2Si4Ru6,La-Ru-Si,La16.667Ru50Si33.333,P 6/m m m,hexagonal,3.6088705,5.693851997310984,5.69385245,data/final/MP/cifs/Fe0.06La1Ru2.94Si2-MP-mp-29240-synth_doped.cif,data/source/MP/raw/cifs/mp-29240.cif,mp-29240,0.0,,2014-02-24 11:42:03,8.166084465628895,10.17188/1203620,"@misc{osti_1203620,
    author = ""Persson, Kristin"",
    title = ""Materials Data on LaSi2Ru3 (SG:193) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1203620"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1719509'}},0.0844490616666675,8.56766587,520.0,-95.13702135,-7.9280851125,{'tags': []},-95.13702135,-7.9280851125,-0.6361177608333328,"['xas', 'bandstructure']",True,[],True,2021-05-12 10:57:03.017000,NM,12,10,mp-29240,,LaSi2Ru3,"{'functional': 'PBE', 'labels': ['La', 'Si', 'Ru_pv'], 'pot_type': 'paw'}","{'La': 1.0, 'Si': 2.0, 'Ru': 3.0}",GGA,mp-29240,"['mp-925171', 'mp-924493', 'mp-909454', 'mp-29240', 'mp-1172476', 'mp-1254946', 'mp-1406081', 'mp-1719509', 'mp-1834844', 'mp-1618500']",0.00014945,"{'La': 2.0, 'Si': 4.0, 'Ru': 6.0}",202.6489324904347,[],NM,False,38,0,"[0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, -0.0, 0.0, 0.0, 0.0, -0.0]",1.4749645918520125e-06,0.00014945,0,0.0002989,MP,data/source/MP/cleaned/cifs/MP-mp-29240.cif,True,,data/final/MP/graphs/Fe0.06La1Ru2.94Si2-MP-mp-29240-synth_doped.json,0,True,6/mmm,0,7,0,0,0,0,0,1,0,0,0,1.0,False
B4Er0.17Rh4Y0.83,3,0.0377777777777777,2.0,False,B8Er0.34Rh8Y1.66,B8Rh8Y2,10.4,Other,True,B44.444Er1.889Rh44.444Y9.222,B-Er-Rh-Y,4,Supercon,Y0.83Er0.17Rh4B4,MP-mp-5984,Y2B8Rh8,B-Rh-Y,B44.444Rh44.444Y11.111,P 42/n m c,tetragonal,5.347098,5.347098,7.470892,data/final/MP/cifs/B4Er0.17Rh4Y0.83-MP-mp-5984-synth_doped.cif,data/source/MP/raw/cifs/mp-5984.cif,mp-5984,0.0,,2011-05-17 01:51:06,8.454483259902709,10.17188/1277215,"@misc{osti_1277215,
    author = ""Persson, Kristin"",
    title = ""Materials Data on Y(BRh)4 (SG:137) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1277215"",
    place = ""United States"",
    year = ""2016"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1705290'}},0.0126497084259256,6.88552514,520.0,-135.64692549,-7.535940305,"{'tags': ['Yttrium rhodium boride (1/4/4)', 'Rhodium yttrium boride (4/1/4)']}",-135.64692549,-7.535940305,-0.5757992298148148,"['xas', 'bandstructure']",True,"[44569, 615346, 602655, 87283]",True,2021-05-12 10:57:26.891000,NM,18,8,mp-5984,,Y(BRh)4,"{'functional': 'PBE', 'labels': ['Y_sv', 'B', 'Rh_pv'], 'pot_type': 'paw'}","{'Y': 1.0, 'B': 4.0, 'Rh': 4.0}",GGA,mp-5984,"['mp-910312', 'mp-5984', 'mp-926161', 'mp-925748', 'mp-1430442', 'mp-1705290', 'mp-1828135', 'mp-1604702']",0.00010715,"{'Y': 2.0, 'B': 8.0, 'Rh': 8.0}",213.60368753104515,[],NM,False,137,0,"[0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0]",1.0032598335590702e-06,0.00010715,0,0.0002143,MP,data/source/MP/cleaned/cifs/MP-mp-5984.cif,True,,data/final/MP/graphs/B4Er0.17Rh4Y0.83-MP-mp-5984-synth_doped.json,0,True,4/mmm,0,0,0,0,7,0,0,1,0,0,0,1.0,False
Si2Zr1,1,0.0,2.0,False,Si4Zr2,Si4Zr2,0.0,Other,True,Si66.667Zr33.333,Si-Zr,2,Supercon,Si2Zr1,MP-mp-1515,Zr2Si4,Si-Zr,Si66.667Zr33.333,C m c m,orthorhombic,3.680088,3.720693999635485,7.60747576,data/final/MP/cifs/Si2Zr1-MP-mp-1515.cif,data/source/MP/raw/cifs/mp-1515.cif,mp-1515,0.0,,2011-05-12 23:01:25,4.846510560627015,10.17188/1191039,"@misc{osti_1191039,
    author = ""Persson, Kristin"",
    title = ""Materials Data on ZrSi2 (SG:63) by Materials Project"",
    abstractNote = ""Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations"",
    doi = ""10.17188/1191039"",
    place = ""United States"",
    year = ""2015"",
    month = ""2"",
    note = ""An optional note""
}
",{'GGA': {'task_id': 'mp-1687713'}},0.0,7.91432844,520.0,-42.68344033,-7.113906721666667,"{'tags': ['Zirconium silicide (1/2)', 'Zirconium silicide(-II)']}",-42.68344033,-7.113906721666667,-0.6004638316666681,"['xas', 'elasticity', 'bandstructure']",True,"[652610, 652606, 26758, 16772, 44871, 95179]",True,2021-05-12 10:56:12.755000,NM,6,19,mp-1515,,ZrSi2,"{'functional': 'PBE', 'labels': ['Zr_sv', 'Si'], 'pot_type': 'paw'}","{'Zr': 1.0, 'Si': 2.0}",GGA,mp-1515,"['mp-924406', 'mp-909418', 'mp-925144', 'mp-569583', 'mp-1515', 'mp-1072187', 'mp-1072178', 'mp-1072219', 'mp-1072680', 'mp-1072638', 'mp-1072658', 'mp-1138600', 'mp-1146109', 'mp-1438008', 'mp-1687713', 'mp-1781754', 'mp-1593703', 'mp-1072206', 'mp-1072668']",0.00048115,"{'Zr': 2.0, 'Si': 4.0}",101.00262968986162,[],NM,False,63,0,"[0, 0, 0, 0, 0, 0]",9.52747470986484e-06,0.00048115,0,0.0009623,MP,data/source/MP/cleaned/cifs/MP-mp-1515.cif,False,,data/final/MP/graphs/Si2Zr1-MP-mp-1515.json,0,True,mmm,0,0,0,7,0,0,0,0,1,0,0,1.0,False