SeaWolf-AI commited on
Commit
903b625
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verified ·
1 Parent(s): ce70099

Discovery: add AuBa2Br2O2 (1AuBa2Br2O2-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -645,3 +645,4 @@ OSC-00855,1ZnTe2-1,1ZnTe2-1,Te2Zn,discovery,light,,ok,0.42559,3.40472,8.0,-0.431
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  OSC-00856,1Te2Zr3-1,1Te2Zr3-1,Te2Zr3,discovery,light,,ok,0.16907,1.35256,8.0,-0.2751,1.3182,,0.2778,0.43716,gaussian_dos_scf_mesh,0.05849,,
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  OSC-00860,4AgClHO-2,4AgClHO-2,Ag4Cl4H4O4,discovery,light,,ok,0.08917,0.71336,8.0,-4.5906,1.7331,,0.7222,0.25439,gaussian_dos_scf_mesh,0.00718,,
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  OSC-00861,4AgFHO-1,4AgFHO-1,Ag4F4H4O4,discovery,light,,ok,0.09088,0.72704,8.0,-4.9504,1.6753,,0.6667,0.34557,gaussian_dos_scf_mesh,0.00483,,
 
 
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  OSC-00856,1Te2Zr3-1,1Te2Zr3-1,Te2Zr3,discovery,light,,ok,0.16907,1.35256,8.0,-0.2751,1.3182,,0.2778,0.43716,gaussian_dos_scf_mesh,0.05849,,
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  OSC-00860,4AgClHO-2,4AgClHO-2,Ag4Cl4H4O4,discovery,light,,ok,0.08917,0.71336,8.0,-4.5906,1.7331,,0.7222,0.25439,gaussian_dos_scf_mesh,0.00718,,
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  OSC-00861,4AgFHO-1,4AgFHO-1,Ag4F4H4O4,discovery,light,,ok,0.09088,0.72704,8.0,-4.9504,1.6753,,0.6667,0.34557,gaussian_dos_scf_mesh,0.00483,,
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+ OSC-00863,1AuBa2Br2O2-1,1AuBa2Br2O2-1,AuBa2Br2O2,discovery,light,,ok,0.57411,4.59288,8.0,0.377,1.0,,0.0,0.21288,gaussian_dos_scf_mesh,0.03844,,