SeaWolf-AI commited on
Commit
60958fc
·
verified ·
1 Parent(s): 31868ec

Discovery: add Cl2O2Ru2 (2ClORu-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -677,3 +677,4 @@ OSC-00913,1CH2O2Zr2-1,1CH2O2Zr2-1,CH2O2Zr2,discovery,light,,ok,0.37023,2.96184,8
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  OSC-00914,1CNb2O2-1,1CNb2O2-1,CNb2O2,discovery,light,,ok,0.23016,1.84128,8.0,1.2734,1.9406,,0.9444,0.08875,gaussian_dos_scf_mesh,0.00283,,
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  OSC-00917,4CdIO-1,4CdIO-1,Cd4I4O4,discovery,light,,ok,0.0314,0.2512,8.0,-4.4626,1.241,,0.2222,1.31859,gaussian_dos_scf_mesh,0.04812,,
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  OSC-00920,2ClORh-1,2ClORh-1,Cl2O2Rh2,discovery,light,,ok,0.11967,0.95736,8.0,-0.7868,1.943,,0.9444,0.14045,gaussian_dos_scf_mesh,0.00283,,
 
 
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  OSC-00914,1CNb2O2-1,1CNb2O2-1,CNb2O2,discovery,light,,ok,0.23016,1.84128,8.0,1.2734,1.9406,,0.9444,0.08875,gaussian_dos_scf_mesh,0.00283,,
678
  OSC-00917,4CdIO-1,4CdIO-1,Cd4I4O4,discovery,light,,ok,0.0314,0.2512,8.0,-4.4626,1.241,,0.2222,1.31859,gaussian_dos_scf_mesh,0.04812,,
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  OSC-00920,2ClORh-1,2ClORh-1,Cl2O2Rh2,discovery,light,,ok,0.11967,0.95736,8.0,-0.7868,1.943,,0.9444,0.14045,gaussian_dos_scf_mesh,0.00283,,
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+ OSC-00921,2ClORu-1,2ClORu-1,Cl2O2Ru2,discovery,light,,ok,0.1522,1.2176,8.0,-0.077,1.0993,,0.1111,0.96085,gaussian_dos_scf_mesh,0.04726,,