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66
SeaWolf-AI commited on
Commit
f861f08
·
verified ·
1 Parent(s): eac9ba6

Discovery: add Cl4IrO2Ru (1IrRuO2Cl4-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -368,3 +368,4 @@ OSC-00390,1Cl2Cu2Sr3O4-1,1Cl2Cu2Sr3O4-1,Cl2Cu2O4Sr3,discovery,light,,ok,0.4186,3
368
  OSC-00391,1Cl2Ni2Sr3O5-1,1Cl2Ni2Sr3O5-1,Cl2Ni2O5Sr3,discovery,light,,ok,0.1225,0.98,8.0,-1.5901,0.089,,0.9444,0.51058,gaussian_dos_scf_mesh,0.00283,,
369
  OSC-00392,1OOsCl2-1,1OOsCl2-1,Cl2OOs,discovery,light,,ok,0.45177,3.61416,8.0,-2.4494,1.0012,,0.0,0.00633,gaussian_dos_scf_mesh,0.03844,,
370
  OSC-00393,1ORuCl2-1,1ORuCl2-1,Cl2ORu,discovery,light,,ok,0.38955,3.1164,8.0,-3.15,1.0025,,0.0,0.0156,gaussian_dos_scf_mesh,0.03844,,
 
 
368
  OSC-00391,1Cl2Ni2Sr3O5-1,1Cl2Ni2Sr3O5-1,Cl2Ni2O5Sr3,discovery,light,,ok,0.1225,0.98,8.0,-1.5901,0.089,,0.9444,0.51058,gaussian_dos_scf_mesh,0.00283,,
369
  OSC-00392,1OOsCl2-1,1OOsCl2-1,Cl2OOs,discovery,light,,ok,0.45177,3.61416,8.0,-2.4494,1.0012,,0.0,0.00633,gaussian_dos_scf_mesh,0.03844,,
370
  OSC-00393,1ORuCl2-1,1ORuCl2-1,Cl2ORu,discovery,light,,ok,0.38955,3.1164,8.0,-3.15,1.0025,,0.0,0.0156,gaussian_dos_scf_mesh,0.03844,,
371
+ OSC-00394,1IrRuO2Cl4-1,1IrRuO2Cl4-1,Cl4IrO2Ru,discovery,light,,ok,0.12739,1.01912,8.0,-1.0908,0.5245,,0.5,0.43055,gaussian_dos_scf_mesh,0.0,,