SeaWolf-AI commited on
Commit
504dfa1
·
verified ·
1 Parent(s): 99c8a66

Discovery: add CCl2TaTi (1CTaTiCl2-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -985,3 +985,4 @@ OSC-01925,1H2C3Ta4-1,1H2C3Ta4-1,C3H2Ta4,discovery,light,,ok,0.22712,1.81696,8.0,
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  OSC-01926,1H2C3V4-1,1H2C3V4-1,C3H2V4,discovery,light,,ok,0.19934,1.59472,8.0,3.8485,0.7791,,0.2222,0.33402,gaussian_dos_scf_mesh,0.04812,,
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  OSC-01931,1C3V4-1,1C3V4-1,C3V4,discovery,light,,ok,0.0601,0.4808,8.0,4.5704,1.6783,,0.6667,0.71714,gaussian_dos_scf_mesh,0.00483,,
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  OSC-01932,1C3Y4-1,1C3Y4-1,C3Y4,discovery,light,,ok,0.0851,0.6808,8.0,3.7531,1.6163,,0.6111,0.59255,gaussian_dos_scf_mesh,0.00262,,
 
 
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  OSC-01926,1H2C3V4-1,1H2C3V4-1,C3H2V4,discovery,light,,ok,0.19934,1.59472,8.0,3.8485,0.7791,,0.2222,0.33402,gaussian_dos_scf_mesh,0.04812,,
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  OSC-01931,1C3V4-1,1C3V4-1,C3V4,discovery,light,,ok,0.0601,0.4808,8.0,4.5704,1.6783,,0.6667,0.71714,gaussian_dos_scf_mesh,0.00483,,
987
  OSC-01932,1C3Y4-1,1C3Y4-1,C3Y4,discovery,light,,ok,0.0851,0.6808,8.0,3.7531,1.6163,,0.6111,0.59255,gaussian_dos_scf_mesh,0.00262,,
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+ OSC-01933,1CTaTiCl2-1,1CTaTiCl2-1,CCl2TaTi,discovery,light,,ok,0.28345,2.2676,8.0,2.56,0.9764,,0.0556,0.44035,gaussian_dos_scf_mesh,0.04523,,