SeaWolf-AI commited on
Commit
bfb8eba
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verified ·
1 Parent(s): 6f602ff

Discovery: add Br2Cu2O2 (2BrCuO-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -653,3 +653,4 @@ OSC-00869,1BO2Ta2-1,1BO2Ta2-1,BO2Ta2,discovery,light,,ok,0.27259,2.18072,8.0,1.6
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  OSC-00870,1BO2Zr2-1,1BO2Zr2-1,BO2Zr2,discovery,light,,ok,0.41635,3.3308,8.0,0.9822,1.1347,,0.1111,0.23515,gaussian_dos_scf_mesh,0.04726,,
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  OSC-00871,1CuBa2F2O2-1,1CuBa2F2O2-1,Ba2CuF2O2,discovery,light,,ok,0.46346,3.70768,8.0,1.4134,1.0,,0.0,0.20205,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00874,1YBi2O4-1,1YBi2O4-1,Bi2O4Y,discovery,light,,ok,0.30914,2.47312,8.0,0.3932,0.562,,0.4444,0.15364,gaussian_dos_scf_mesh,0.0,,
 
 
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  OSC-00870,1BO2Zr2-1,1BO2Zr2-1,BO2Zr2,discovery,light,,ok,0.41635,3.3308,8.0,0.9822,1.1347,,0.1111,0.23515,gaussian_dos_scf_mesh,0.04726,,
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  OSC-00871,1CuBa2F2O2-1,1CuBa2F2O2-1,Ba2CuF2O2,discovery,light,,ok,0.46346,3.70768,8.0,1.4134,1.0,,0.0,0.20205,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00874,1YBi2O4-1,1YBi2O4-1,Bi2O4Y,discovery,light,,ok,0.30914,2.47312,8.0,0.3932,0.562,,0.4444,0.15364,gaussian_dos_scf_mesh,0.0,,
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+ OSC-00876,2BrCuO-1,2BrCuO-1,Br2Cu2O2,discovery,light,,ok,0.14166,1.13328,8.0,-1.722,1.4997,,0.5,1.00564,gaussian_dos_scf_mesh,0.0,,