SeaWolf-AI commited on
Commit
19f4bd0
·
verified ·
1 Parent(s): e14e809

Discovery: add HNiOS (1HNiOS-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -697,3 +697,4 @@ OSC-00946,1NH2O2Ti2-1,1NH2O2Ti2-1,H2NO2Ti2,discovery,light,,ok,0.21224,1.69792,8
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  OSC-00947,1NH2O2Y2-1,1NH2O2Y2-1,H2NO2Y2,discovery,light,,ok,0.32559,2.60472,8.0,2.7552,0.934,,0.0556,0.38639,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00948,1NH2O2Zr2-1,1NH2O2Zr2-1,H2NO2Zr2,discovery,light,,ok,0.25189,2.01512,8.0,3.3084,0.6997,,0.3333,0.4832,gaussian_dos_scf_mesh,0.04299,,
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  OSC-00949,1ScH2O2-1,1ScH2O2-1,H2O2Sc,discovery,light,,ok,0.20637,1.65096,8.0,0.8338,0.9352,,0.0556,0.6641,gaussian_dos_scf_mesh,0.04523,,
 
 
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  OSC-00947,1NH2O2Y2-1,1NH2O2Y2-1,H2NO2Y2,discovery,light,,ok,0.32559,2.60472,8.0,2.7552,0.934,,0.0556,0.38639,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00948,1NH2O2Zr2-1,1NH2O2Zr2-1,H2NO2Zr2,discovery,light,,ok,0.25189,2.01512,8.0,3.3084,0.6997,,0.3333,0.4832,gaussian_dos_scf_mesh,0.04299,,
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  OSC-00949,1ScH2O2-1,1ScH2O2-1,H2O2Sc,discovery,light,,ok,0.20637,1.65096,8.0,0.8338,0.9352,,0.0556,0.6641,gaussian_dos_scf_mesh,0.04523,,
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+ OSC-00950,1HNiOS-1,1HNiOS-1,HNiOS,discovery,light,,ok,0.23113,1.84904,8.0,-3.097,0.9997,,0.0,0.48256,gaussian_dos_scf_mesh,0.03844,,