SeaWolf-AI commited on
Commit
292a95c
·
verified ·
1 Parent(s): 82fe4e7

Discovery: add Ni2S6 (2NiS3-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -573,3 +573,4 @@ OSC-00742,1PNi2S2-1,1PNi2S2-1,Ni2PS2,discovery,light,,ok,0.23609,1.88872,8.0,-2.
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  OSC-00743,1PNi2Te2-1,1PNi2Te2-1,Ni2PTe2,discovery,light,,ok,0.31503,2.52024,8.0,-0.7888,1.1733,,0.1667,0.81513,gaussian_dos_scf_mesh,0.05569,,
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  OSC-00744,2NiTaS5-1,2NiTaS5-1,Ni2S10Ta2,discovery,light,,ok,0.20674,1.65392,8.0,-3.5359,1.0333,,0.0,0.31437,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00747,2NiS-5,2NiS-5,Ni2S2,discovery,light,,ok,0.25142,2.01136,8.0,-0.857,0.8435,,0.1667,1.40205,gaussian_dos_scf_mesh,0.05569,,
 
 
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  OSC-00743,1PNi2Te2-1,1PNi2Te2-1,Ni2PTe2,discovery,light,,ok,0.31503,2.52024,8.0,-0.7888,1.1733,,0.1667,0.81513,gaussian_dos_scf_mesh,0.05569,,
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  OSC-00744,2NiTaS5-1,2NiTaS5-1,Ni2S10Ta2,discovery,light,,ok,0.20674,1.65392,8.0,-3.5359,1.0333,,0.0,0.31437,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00747,2NiS-5,2NiS-5,Ni2S2,discovery,light,,ok,0.25142,2.01136,8.0,-0.857,0.8435,,0.1667,1.40205,gaussian_dos_scf_mesh,0.05569,,
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+ OSC-00748,2NiS3-1,2NiS3-1,Ni2S6,discovery,light,,ok,0.23906,1.91248,8.0,-0.1008,0.6517,,0.3889,0.64366,gaussian_dos_scf_mesh,0.01269,,