SeaWolf-AI commited on
Commit
477c228
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verified ·
1 Parent(s): 1a9c7a3

Discovery: add Br4Cd4O4 (4BrCdO-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -658,3 +658,4 @@ OSC-00881,2BrORh-1,2BrORh-1,Br2O2Rh2,discovery,light,,ok,0.11109,0.88872,8.0,-0.
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  OSC-00882,2BrORu-1,2BrORu-1,Br2O2Ru2,discovery,light,,ok,0.16459,1.31672,8.0,0.4763,1.0644,,0.0556,0.93785,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00884,1ClSeC2Br3O6Ti7-1,1ClSeC2Br3O6Ti7-1,Br3C2ClO6SeTi7,discovery,light,,ok,0.05944,0.47552,8.0,-0.7045,1.3253,,0.3333,0.31794,gaussian_dos_scf_mesh,0.04299,,
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  OSC-00885,1ClZnBr3Pd3O4-1,1ClZnBr3Pd3O4-1,Br3ClO4Pd3Zn,discovery,light,,ok,0.06758,0.54064,8.0,-0.9118,1.5525,,0.5556,0.55327,gaussian_dos_scf_mesh,0.0,,
 
 
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  OSC-00882,2BrORu-1,2BrORu-1,Br2O2Ru2,discovery,light,,ok,0.16459,1.31672,8.0,0.4763,1.0644,,0.0556,0.93785,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00884,1ClSeC2Br3O6Ti7-1,1ClSeC2Br3O6Ti7-1,Br3C2ClO6SeTi7,discovery,light,,ok,0.05944,0.47552,8.0,-0.7045,1.3253,,0.3333,0.31794,gaussian_dos_scf_mesh,0.04299,,
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  OSC-00885,1ClZnBr3Pd3O4-1,1ClZnBr3Pd3O4-1,Br3ClO4Pd3Zn,discovery,light,,ok,0.06758,0.54064,8.0,-0.9118,1.5525,,0.5556,0.55327,gaussian_dos_scf_mesh,0.0,,
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+ OSC-00886,4BrCdO-1,4BrCdO-1,Br4Cd4O4,discovery,light,,ok,0.03763,0.30104,8.0,-5.3356,1.2237,,0.2222,1.16112,gaussian_dos_scf_mesh,0.04812,,