SeaWolf-AI commited on
Commit
7a4e33b
·
verified ·
1 Parent(s): d4583fa

Discovery: add Cl4Mo2 (2MoCl2-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -996,3 +996,4 @@ OSC-01961,2ClRu-1,2ClRu-1,Cl2Ru2,discovery,light,,ok,0.18546,1.48368,8.0,1.4916,
996
  OSC-01963,1TaCl2-1,1TaCl2-1,Cl2Ta,discovery,light,,ok,0.35668,2.85344,8.0,2.1251,0.9092,,0.1111,0.48823,gaussian_dos_scf_mesh,0.04726,,
997
  OSC-01965,2ClW-1,2ClW-1,Cl2W2,discovery,light,,ok,0.20692,1.65536,8.0,3.4968,1.6216,,0.6111,0.32208,gaussian_dos_scf_mesh,0.00262,,
998
  OSC-01967,2ClZr-2,2ClZr-2,Cl2Zr2,discovery,light,,ok,0.22619,1.80952,8.0,-0.6627,1.7148,,0.7222,0.57547,gaussian_dos_scf_mesh,0.00718,,
 
 
996
  OSC-01963,1TaCl2-1,1TaCl2-1,Cl2Ta,discovery,light,,ok,0.35668,2.85344,8.0,2.1251,0.9092,,0.1111,0.48823,gaussian_dos_scf_mesh,0.04726,,
997
  OSC-01965,2ClW-1,2ClW-1,Cl2W2,discovery,light,,ok,0.20692,1.65536,8.0,3.4968,1.6216,,0.6111,0.32208,gaussian_dos_scf_mesh,0.00262,,
998
  OSC-01967,2ClZr-2,2ClZr-2,Cl2Zr2,discovery,light,,ok,0.22619,1.80952,8.0,-0.6627,1.7148,,0.7222,0.57547,gaussian_dos_scf_mesh,0.00718,,
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+ OSC-01971,2MoCl2-1,2MoCl2-1,Cl4Mo2,discovery,light,,ok,0.1905,1.524,8.0,1.4795,0.4744,,0.5556,0.4335,gaussian_dos_scf_mesh,0.0,,