SeaWolf-AI commited on
Commit
eb90fbb
·
verified ·
1 Parent(s): 9790b95

Discovery: add ClIN2NbTa (1ClINbTaN2-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -455,3 +455,4 @@ OSC-00501,2ClOsS-1,2ClOsS-1,Cl2Os2S2,discovery,light,,ok,0.26003,2.08024,8.0,-0.
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  OSC-00502,2ClPdTe2-1,2ClPdTe2-1,Cl2Pd2Te4,discovery,light,,ok,0.2572,2.0576,8.0,0.6883,1.4163,,0.3889,0.22782,gaussian_dos_scf_mesh,0.01269,,
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  OSC-00503,2ClRuS-1,2ClRuS-1,Cl2Ru2S2,discovery,light,,ok,0.22946,1.83568,8.0,-1.074,0.9176,,0.1111,0.56156,gaussian_dos_scf_mesh,0.04726,,
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  OSC-00505,1Mo2N3Ti4Cl6-1,1Mo2N3Ti4Cl6-1,Cl6Mo2N3Ti4,discovery,light,,ok,0.11079,0.88632,8.0,2.1397,0.677,,0.3333,0.34925,gaussian_dos_scf_mesh,0.04299,,
 
 
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  OSC-00502,2ClPdTe2-1,2ClPdTe2-1,Cl2Pd2Te4,discovery,light,,ok,0.2572,2.0576,8.0,0.6883,1.4163,,0.3889,0.22782,gaussian_dos_scf_mesh,0.01269,,
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  OSC-00503,2ClRuS-1,2ClRuS-1,Cl2Ru2S2,discovery,light,,ok,0.22946,1.83568,8.0,-1.074,0.9176,,0.1111,0.56156,gaussian_dos_scf_mesh,0.04726,,
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  OSC-00505,1Mo2N3Ti4Cl6-1,1Mo2N3Ti4Cl6-1,Cl6Mo2N3Ti4,discovery,light,,ok,0.11079,0.88632,8.0,2.1397,0.677,,0.3333,0.34925,gaussian_dos_scf_mesh,0.04299,,
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+ OSC-00506,1ClINbTaN2-1,1ClINbTaN2-1,ClIN2NbTa,discovery,light,,ok,0.28922,2.31376,8.0,0.9361,1.37,,0.3333,0.42544,gaussian_dos_scf_mesh,0.04299,,