SeaWolf-AI commited on
Commit
ddbf57a
·
verified ·
1 Parent(s): c70e88f

Discovery: add C3H2Hf4O2 (1H2O2C3Hf4-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -665,3 +665,4 @@ OSC-00893,1C2O2Nb3-1,1C2O2Nb3-1,C2Nb3O2,discovery,light,,ok,0.13635,1.0908,8.0,3
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  OSC-00894,1C2O2Ta3-1,1C2O2Ta3-1,C2O2Ta3,discovery,light,,ok,0.15293,1.22344,8.0,4.3971,0.8384,,0.1667,0.45188,gaussian_dos_scf_mesh,0.05569,,
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  OSC-00896,1C2O2V3-1,1C2O2V3-1,C2O2V3,discovery,light,,ok,0.0838,0.6704,8.0,2.1422,0.8381,,0.1667,0.52844,gaussian_dos_scf_mesh,0.05569,,
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  OSC-00897,1C2O2Y3-1,1C2O2Y3-1,C2O2Y3,discovery,light,,ok,0.16444,1.31552,8.0,3.1345,1.0617,,0.0556,0.41318,gaussian_dos_scf_mesh,0.04523,,
 
 
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  OSC-00894,1C2O2Ta3-1,1C2O2Ta3-1,C2O2Ta3,discovery,light,,ok,0.15293,1.22344,8.0,4.3971,0.8384,,0.1667,0.45188,gaussian_dos_scf_mesh,0.05569,,
666
  OSC-00896,1C2O2V3-1,1C2O2V3-1,C2O2V3,discovery,light,,ok,0.0838,0.6704,8.0,2.1422,0.8381,,0.1667,0.52844,gaussian_dos_scf_mesh,0.05569,,
667
  OSC-00897,1C2O2Y3-1,1C2O2Y3-1,C2O2Y3,discovery,light,,ok,0.16444,1.31552,8.0,3.1345,1.0617,,0.0556,0.41318,gaussian_dos_scf_mesh,0.04523,,
668
+ OSC-00898,1H2O2C3Hf4-1,1H2O2C3Hf4-1,C3H2Hf4O2,discovery,light,,ok,0.40613,3.24904,8.0,5.7016,1.7439,,0.7222,0.27977,gaussian_dos_scf_mesh,0.00718,,