SeaWolf-AI commited on
Commit
9c9ed78
·
verified ·
1 Parent(s): 3d26199

Discovery: add H2NO2Ti2 (1NH2O2Ti2-1)

Browse files
Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -693,3 +693,4 @@ OSC-00942,1H2O2N3Ti4-1,1H2O2N3Ti4-1,H2N3O2Ti4,discovery,light,,ok,0.14299,1.1439
693
  OSC-00943,1H2O2N3Y4-1,1H2O2N3Y4-1,H2N3O2Y4,discovery,light,,ok,0.35482,2.83856,8.0,4.9624,0.9227,,0.1111,0.22967,gaussian_dos_scf_mesh,0.04726,,
694
  OSC-00944,1H2O2N3Zr4-1,1H2O2N3Zr4-1,H2N3O2Zr4,discovery,light,,ok,0.14345,1.1476,8.0,6.1877,0.6301,,0.3889,0.34856,gaussian_dos_scf_mesh,0.01269,,
695
  OSC-00945,1NH2O2Sc2-1,1NH2O2Sc2-1,H2NO2Sc2,discovery,light,,ok,0.30171,2.41368,8.0,2.5587,0.9459,,0.0556,0.39418,gaussian_dos_scf_mesh,0.04523,,
 
 
693
  OSC-00943,1H2O2N3Y4-1,1H2O2N3Y4-1,H2N3O2Y4,discovery,light,,ok,0.35482,2.83856,8.0,4.9624,0.9227,,0.1111,0.22967,gaussian_dos_scf_mesh,0.04726,,
694
  OSC-00944,1H2O2N3Zr4-1,1H2O2N3Zr4-1,H2N3O2Zr4,discovery,light,,ok,0.14345,1.1476,8.0,6.1877,0.6301,,0.3889,0.34856,gaussian_dos_scf_mesh,0.01269,,
695
  OSC-00945,1NH2O2Sc2-1,1NH2O2Sc2-1,H2NO2Sc2,discovery,light,,ok,0.30171,2.41368,8.0,2.5587,0.9459,,0.0556,0.39418,gaussian_dos_scf_mesh,0.04523,,
696
+ OSC-00946,1NH2O2Ti2-1,1NH2O2Ti2-1,H2NO2Ti2,discovery,light,,ok,0.21224,1.69792,8.0,2.9032,0.6959,,0.3333,0.43738,gaussian_dos_scf_mesh,0.04299,,