SeaWolf-AI commited on
Commit
44869d3
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verified ·
1 Parent(s): bfe7676

Discovery: add Br2ORu (1ORuBr2-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -355,3 +355,4 @@ OSC-00375,2BrClMoO-1,2BrClMoO-1,Br2Cl2Mo2O2,discovery,light,,ok,0.18744,1.49952,
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  OSC-00376,1Br2Cu2Sr3O4-1,1Br2Cu2Sr3O4-1,Br2Cu2O4Sr3,discovery,light,,ok,0.40067,3.20536,8.0,-1.3518,1.0428,,0.0556,0.24861,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00377,1CuBr2O2Sr2-1,1CuBr2O2Sr2-1,Br2CuO2Sr2,discovery,light,,ok,0.41582,3.32656,8.0,-0.1056,0.9997,,0.0,0.19731,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00379,1OOsBr2-1,1OOsBr2-1,Br2OOs,discovery,light,,ok,0.45209,3.61672,8.0,-2.0271,1.0011,,0.0,0.00737,gaussian_dos_scf_mesh,0.03844,,
 
 
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  OSC-00376,1Br2Cu2Sr3O4-1,1Br2Cu2Sr3O4-1,Br2Cu2O4Sr3,discovery,light,,ok,0.40067,3.20536,8.0,-1.3518,1.0428,,0.0556,0.24861,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00377,1CuBr2O2Sr2-1,1CuBr2O2Sr2-1,Br2CuO2Sr2,discovery,light,,ok,0.41582,3.32656,8.0,-0.1056,0.9997,,0.0,0.19731,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00379,1OOsBr2-1,1OOsBr2-1,Br2OOs,discovery,light,,ok,0.45209,3.61672,8.0,-2.0271,1.0011,,0.0,0.00737,gaussian_dos_scf_mesh,0.03844,,
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+ OSC-00380,1ORuBr2-1,1ORuBr2-1,Br2ORu,discovery,light,,ok,0.34319,2.74552,8.0,-3.3051,1.0435,,0.0556,0.21428,gaussian_dos_scf_mesh,0.04523,,