SeaWolf-AI commited on
Commit
34aa5cc
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verified ·
1 Parent(s): 1c2aadd

Discovery: add H2N2O2Y3 (1H2N2O2Y3-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -687,3 +687,4 @@ OSC-00936,1H2O2N3Mo4-1,1H2O2N3Mo4-1,H2Mo4N3O2,discovery,light,,ok,0.11698,0.9358
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  OSC-00937,1MoH2O2-1,1MoH2O2-1,H2MoO2,discovery,light,,ok,0.4434,3.5472,8.0,2.2753,1.4043,,0.3889,0.66132,gaussian_dos_scf_mesh,0.01269,,
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  OSC-00938,1H2N2O2Sc3-1,1H2N2O2Sc3-1,H2N2O2Sc3,discovery,light,,ok,0.23237,1.85896,8.0,3.7731,0.9604,,0.0556,0.32835,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00939,1H2N2O2W3-1,1H2N2O2W3-1,H2N2O2W3,discovery,light,,ok,0.36437,2.91496,8.0,6.9298,1.2185,,0.2222,0.65604,gaussian_dos_scf_mesh,0.04812,,
 
 
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  OSC-00937,1MoH2O2-1,1MoH2O2-1,H2MoO2,discovery,light,,ok,0.4434,3.5472,8.0,2.2753,1.4043,,0.3889,0.66132,gaussian_dos_scf_mesh,0.01269,,
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  OSC-00938,1H2N2O2Sc3-1,1H2N2O2Sc3-1,H2N2O2Sc3,discovery,light,,ok,0.23237,1.85896,8.0,3.7731,0.9604,,0.0556,0.32835,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00939,1H2N2O2W3-1,1H2N2O2W3-1,H2N2O2W3,discovery,light,,ok,0.36437,2.91496,8.0,6.9298,1.2185,,0.2222,0.65604,gaussian_dos_scf_mesh,0.04812,,
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+ OSC-00940,1H2N2O2Y3-1,1H2N2O2Y3-1,H2N2O2Y3,discovery,light,,ok,0.21952,1.75616,8.0,3.9844,0.9521,,0.0556,0.33286,gaussian_dos_scf_mesh,0.04523,,