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66
SeaWolf-AI commited on
Commit
cc686bd
·
verified ·
1 Parent(s): 28ddef0

Discovery: add Cl2ORu (1ORuCl2-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -367,3 +367,4 @@ OSC-00388,1Cu2I2Ca3O4-1,1Cu2I2Ca3O4-1,Ca3Cu2I2O4,discovery,light,,ok,0.30055,2.4
367
  OSC-00390,1Cl2Cu2Sr3O4-1,1Cl2Cu2Sr3O4-1,Cl2Cu2O4Sr3,discovery,light,,ok,0.4186,3.3488,8.0,-1.1718,1.044,,0.0556,0.24892,gaussian_dos_scf_mesh,0.04523,,
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  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,,
 
 
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  OSC-00390,1Cl2Cu2Sr3O4-1,1Cl2Cu2Sr3O4-1,Cl2Cu2O4Sr3,discovery,light,,ok,0.4186,3.3488,8.0,-1.1718,1.044,,0.0556,0.24892,gaussian_dos_scf_mesh,0.04523,,
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,,