SeaWolf-AI commited on
Commit
5f04cca
·
verified ·
1 Parent(s): 4cd4247

Discovery: add Br2O2Rh2 (2BrORh-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -654,3 +654,4 @@ OSC-00870,1BO2Zr2-1,1BO2Zr2-1,BO2Zr2,discovery,light,,ok,0.41635,3.3308,8.0,0.98
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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,,
 
 
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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,,
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+ OSC-00881,2BrORh-1,2BrORh-1,Br2O2Rh2,discovery,light,,ok,0.11109,0.88872,8.0,-0.3909,1.9315,,0.9444,0.2024,gaussian_dos_scf_mesh,0.00283,,