SeaWolf-AI commited on
Commit
4819354
·
verified ·
1 Parent(s): 130642c

Discovery: add FeH2O2 (1FeH2O2-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -680,3 +680,4 @@ OSC-00920,2ClORh-1,2ClORh-1,Cl2O2Rh2,discovery,light,,ok,0.11967,0.95736,8.0,-0.
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  OSC-00921,2ClORu-1,2ClORu-1,Cl2O2Ru2,discovery,light,,ok,0.1522,1.2176,8.0,-0.077,1.0993,,0.1111,0.96085,gaussian_dos_scf_mesh,0.04726,,
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  OSC-00927,1SrCu2O8-1,1SrCu2O8-1,Cu2O8Sr,discovery,light,,ok,0.10628,0.85024,8.0,-3.3933,1.6458,,0.6111,0.71524,gaussian_dos_scf_mesh,0.00262,,
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  OSC-00928,2FNiO2-1,2FNiO2-1,F2Ni2O4,discovery,light,,ok,0.16552,1.32416,8.0,-1.961,1.2086,,0.2222,0.41823,gaussian_dos_scf_mesh,0.04812,,
 
 
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  OSC-00921,2ClORu-1,2ClORu-1,Cl2O2Ru2,discovery,light,,ok,0.1522,1.2176,8.0,-0.077,1.0993,,0.1111,0.96085,gaussian_dos_scf_mesh,0.04726,,
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  OSC-00927,1SrCu2O8-1,1SrCu2O8-1,Cu2O8Sr,discovery,light,,ok,0.10628,0.85024,8.0,-3.3933,1.6458,,0.6111,0.71524,gaussian_dos_scf_mesh,0.00262,,
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  OSC-00928,2FNiO2-1,2FNiO2-1,F2Ni2O4,discovery,light,,ok,0.16552,1.32416,8.0,-1.961,1.2086,,0.2222,0.41823,gaussian_dos_scf_mesh,0.04812,,
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+ OSC-00931,1FeH2O2-1,1FeH2O2-1,FeH2O2,discovery,light,,ok,0.18777,1.50216,8.0,0.8273,0.0622,,0.9444,0.60844,gaussian_dos_scf_mesh,0.00283,,