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65
SeaWolf-AI commited on
Commit
dd3121d
·
verified ·
1 Parent(s): 57a3fdb

Discovery: add Cl4Cu4H4S4 (4ClCuHS-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -819,3 +819,4 @@ OSC-01421,1BrISSc2-1,1BrISSc2-1,BrISSc2,discovery,light,,ok,0.21578,1.72624,8.0,
819
  OSC-01422,1BrISe2Zr2-1,1BrISe2Zr2-1,BrISe2Zr2,discovery,light,,ok,0.29598,2.36784,8.0,0.2446,1.1553,,0.1667,0.42524,gaussian_dos_scf_mesh,0.05569,,
820
  OSC-01423,1HfSCl2Se2Zr2-1,1HfSCl2Se2Zr2-1,Cl2HfSSe2Zr2,discovery,light,,ok,0.29908,2.39264,8.0,1.2741,0.5141,,0.5,0.20713,gaussian_dos_scf_mesh,0.0,,
821
  OSC-01424,1SeCu2I2Cl3-1,1SeCu2I2Cl3-1,Cl3Cu2I2Se,discovery,light,,ok,0.03567,0.28536,8.0,-2.7761,0.928,,0.1111,0.86322,gaussian_dos_scf_mesh,0.04726,,
 
 
819
  OSC-01422,1BrISe2Zr2-1,1BrISe2Zr2-1,BrISe2Zr2,discovery,light,,ok,0.29598,2.36784,8.0,0.2446,1.1553,,0.1667,0.42524,gaussian_dos_scf_mesh,0.05569,,
820
  OSC-01423,1HfSCl2Se2Zr2-1,1HfSCl2Se2Zr2-1,Cl2HfSSe2Zr2,discovery,light,,ok,0.29908,2.39264,8.0,1.2741,0.5141,,0.5,0.20713,gaussian_dos_scf_mesh,0.0,,
821
  OSC-01424,1SeCu2I2Cl3-1,1SeCu2I2Cl3-1,Cl3Cu2I2Se,discovery,light,,ok,0.03567,0.28536,8.0,-2.7761,0.928,,0.1111,0.86322,gaussian_dos_scf_mesh,0.04726,,
822
+ OSC-01425,4ClCuHS-1,4ClCuHS-1,Cl4Cu4H4S4,discovery,light,,ok,0.08537,0.68296,8.0,-4.1627,1.6936,,0.6667,0.28829,gaussian_dos_scf_mesh,0.00483,,