SeaWolf-AI commited on
Commit
62f57a4
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verified ·
1 Parent(s): e1a95cf

Discovery: add C12Na (1NaC12-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -865,3 +865,4 @@ OSC-01620,2BrZr-1,2BrZr-1,Br2Zr2,discovery,light,,ok,0.16828,1.34624,8.0,-0.0699
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  OSC-01622,1Cu3Br4-1,1Cu3Br4-1,Br4Cu3,discovery,light,,ok,0.08895,0.7116,8.0,-2.0259,1.1466,,0.1111,1.00869,gaussian_dos_scf_mesh,0.04726,,
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  OSC-01624,1BrC4Cl7Nb8-1,1BrC4Cl7Nb8-1,BrC4Cl7Nb8,discovery,light,,ok,0.12139,0.97112,8.0,2.823,0.5624,,0.4444,0.39587,gaussian_dos_scf_mesh,0.0,,
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  OSC-01626,1LiC12-1,1LiC12-1,C12Li,discovery,light,,ok,0.55773,4.46184,8.0,-0.8554,0.635,,0.3889,0.21475,gaussian_dos_scf_mesh,0.01269,,
 
 
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  OSC-01622,1Cu3Br4-1,1Cu3Br4-1,Br4Cu3,discovery,light,,ok,0.08895,0.7116,8.0,-2.0259,1.1466,,0.1111,1.00869,gaussian_dos_scf_mesh,0.04726,,
866
  OSC-01624,1BrC4Cl7Nb8-1,1BrC4Cl7Nb8-1,BrC4Cl7Nb8,discovery,light,,ok,0.12139,0.97112,8.0,2.823,0.5624,,0.4444,0.39587,gaussian_dos_scf_mesh,0.0,,
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  OSC-01626,1LiC12-1,1LiC12-1,C12Li,discovery,light,,ok,0.55773,4.46184,8.0,-0.8554,0.635,,0.3889,0.21475,gaussian_dos_scf_mesh,0.01269,,
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+ OSC-01627,1NaC12-1,1NaC12-1,C12Na,discovery,light,,ok,0.5694,4.5552,8.0,-0.6453,0.5444,,0.4444,0.16021,gaussian_dos_scf_mesh,0.0,,