SeaWolf-AI commited on
Commit
b442d0e
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verified ·
1 Parent(s): d9968ad

Discovery: add Ba2Cl2CuO2 (1CuBa2Cl2O2-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -348,3 +348,4 @@ OSC-00366,2AuC2F2O4-1,2AuC2F2O4-1,Au2C4F4O8,discovery,light,,ok,0.1086,0.8688,8.
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  OSC-00367,1AuNi2O4-1,1AuNi2O4-1,AuNi2O4,discovery,light,,ok,0.17687,1.41496,8.0,-2.2205,0.8215,,0.1667,0.63558,gaussian_dos_scf_mesh,0.05569,,
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  OSC-00368,1AuPd2O4-1,1AuPd2O4-1,AuO4Pd2,discovery,light,,ok,0.20524,1.64192,8.0,-1.7493,0.9021,,0.1111,0.60298,gaussian_dos_scf_mesh,0.04726,,
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  OSC-00369,1CuBa2Br2O2-1,1CuBa2Br2O2-1,Ba2Br2CuO2,discovery,light,,ok,0.33325,2.666,8.0,-0.2179,0.9791,,0.0556,0.19551,gaussian_dos_scf_mesh,0.04523,,
 
 
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  OSC-00367,1AuNi2O4-1,1AuNi2O4-1,AuNi2O4,discovery,light,,ok,0.17687,1.41496,8.0,-2.2205,0.8215,,0.1667,0.63558,gaussian_dos_scf_mesh,0.05569,,
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  OSC-00368,1AuPd2O4-1,1AuPd2O4-1,AuO4Pd2,discovery,light,,ok,0.20524,1.64192,8.0,-1.7493,0.9021,,0.1111,0.60298,gaussian_dos_scf_mesh,0.04726,,
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  OSC-00369,1CuBa2Br2O2-1,1CuBa2Br2O2-1,Ba2Br2CuO2,discovery,light,,ok,0.33325,2.666,8.0,-0.2179,0.9791,,0.0556,0.19551,gaussian_dos_scf_mesh,0.04523,,
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+ OSC-00370,1CuBa2Cl2O2-1,1CuBa2Cl2O2-1,Ba2Cl2CuO2,discovery,light,,ok,0.36622,2.92976,8.0,-0.0305,0.9938,,0.0,0.20262,gaussian_dos_scf_mesh,0.03844,,