SeaWolf-AI commited on
Commit
60974f7
·
verified ·
1 Parent(s): ed9e3bc

Discovery: add Cd4I4O4 (4CdIO-1)

Browse files
Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -675,3 +675,4 @@ OSC-00908,1O2C3V4-1,1O2C3V4-1,C3O2V4,discovery,light,,ok,0.13604,1.08832,8.0,3.4
675
  OSC-00912,1CH2O2V2-1,1CH2O2V2-1,CH2O2V2,discovery,light,,ok,0.22048,1.76384,8.0,2.9586,1.3917,,0.3889,0.40521,gaussian_dos_scf_mesh,0.01269,,
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  OSC-00913,1CH2O2Zr2-1,1CH2O2Zr2-1,CH2O2Zr2,discovery,light,,ok,0.37023,2.96184,8.0,3.2065,1.9399,,0.9444,0.11628,gaussian_dos_scf_mesh,0.00283,,
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  OSC-00914,1CNb2O2-1,1CNb2O2-1,CNb2O2,discovery,light,,ok,0.23016,1.84128,8.0,1.2734,1.9406,,0.9444,0.08875,gaussian_dos_scf_mesh,0.00283,,
 
 
675
  OSC-00912,1CH2O2V2-1,1CH2O2V2-1,CH2O2V2,discovery,light,,ok,0.22048,1.76384,8.0,2.9586,1.3917,,0.3889,0.40521,gaussian_dos_scf_mesh,0.01269,,
676
  OSC-00913,1CH2O2Zr2-1,1CH2O2Zr2-1,CH2O2Zr2,discovery,light,,ok,0.37023,2.96184,8.0,3.2065,1.9399,,0.9444,0.11628,gaussian_dos_scf_mesh,0.00283,,
677
  OSC-00914,1CNb2O2-1,1CNb2O2-1,CNb2O2,discovery,light,,ok,0.23016,1.84128,8.0,1.2734,1.9406,,0.9444,0.08875,gaussian_dos_scf_mesh,0.00283,,
678
+ OSC-00917,4CdIO-1,4CdIO-1,Cd4I4O4,discovery,light,,ok,0.0314,0.2512,8.0,-4.4626,1.241,,0.2222,1.31859,gaussian_dos_scf_mesh,0.04812,,