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69
SeaWolf-AI commited on
Commit
f24043c
·
verified ·
1 Parent(s): f23c263

Discovery: add Ba2Br2CuS2 (1CuBa2Br2S2-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -906,3 +906,4 @@ OSC-01707,1B2H2S2Ti3-1,1B2H2S2Ti3-1,B2H2S2Ti3,discovery,light,,ok,0.14275,1.142,
906
  OSC-01708,1B2H2S2V3-1,1B2H2S2V3-1,B2H2S2V3,discovery,light,,ok,0.11865,0.9492,8.0,3.8398,0.8581,,0.1667,0.22331,gaussian_dos_scf_mesh,0.05569,,
907
  OSC-01710,1B2H2Se2Ti3-1,1B2H2Se2Ti3-1,B2H2Se2Ti3,discovery,light,,ok,0.17834,1.42672,8.0,2.6585,1.614,,0.6111,0.36079,gaussian_dos_scf_mesh,0.00262,,
908
  OSC-01711,1B2H2Se2Zr3-1,1B2H2Se2Zr3-1,B2H2Se2Zr3,discovery,light,,ok,0.15242,1.21936,8.0,3.0355,1.6272,,0.6111,0.26992,gaussian_dos_scf_mesh,0.00262,,
 
 
906
  OSC-01708,1B2H2S2V3-1,1B2H2S2V3-1,B2H2S2V3,discovery,light,,ok,0.11865,0.9492,8.0,3.8398,0.8581,,0.1667,0.22331,gaussian_dos_scf_mesh,0.05569,,
907
  OSC-01710,1B2H2Se2Ti3-1,1B2H2Se2Ti3-1,B2H2Se2Ti3,discovery,light,,ok,0.17834,1.42672,8.0,2.6585,1.614,,0.6111,0.36079,gaussian_dos_scf_mesh,0.00262,,
908
  OSC-01711,1B2H2Se2Zr3-1,1B2H2Se2Zr3-1,B2H2Se2Zr3,discovery,light,,ok,0.15242,1.21936,8.0,3.0355,1.6272,,0.6111,0.26992,gaussian_dos_scf_mesh,0.00262,,
909
+ OSC-01712,1CuBa2Br2S2-1,1CuBa2Br2S2-1,Ba2Br2CuS2,discovery,light,,ok,0.39721,3.17768,8.0,0.4169,1.0494,,0.0556,0.33203,gaussian_dos_scf_mesh,0.04523,,