SeaWolf-AI commited on
Commit
431233f
·
verified ·
1 Parent(s): 1d82f32

Discovery: add AsNi2S2 (1AsNi2S2-1)

Browse files
Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -406,3 +406,4 @@ OSC-00438,1SnAs2I3S4Cl5Cu5-1,1SnAs2I3S4Cl5Cu5-1,As2Cl5Cu5I3S4Sn,discovery,light,
406
  OSC-00439,2AsCoNa-1,2AsCoNa-1,As2Co2Na2,discovery,light,,ok,0.15162,1.21296,8.0,1.9559,1.3687,,0.3333,0.96721,gaussian_dos_scf_mesh,0.04299,,
407
  OSC-00440,2AsCoTe3-1,2AsCoTe3-1,As2Co2Te6,discovery,light,,ok,0.09634,0.77072,8.0,-0.2554,1.9448,,0.9444,0.19563,gaussian_dos_scf_mesh,0.00283,,
408
  OSC-00443,2AsKNi-1,2AsKNi-1,As2K2Ni2,discovery,light,,ok,0.17277,1.38216,8.0,2.2575,1.1496,,0.1111,1.13638,gaussian_dos_scf_mesh,0.04726,,
 
 
406
  OSC-00439,2AsCoNa-1,2AsCoNa-1,As2Co2Na2,discovery,light,,ok,0.15162,1.21296,8.0,1.9559,1.3687,,0.3333,0.96721,gaussian_dos_scf_mesh,0.04299,,
407
  OSC-00440,2AsCoTe3-1,2AsCoTe3-1,As2Co2Te6,discovery,light,,ok,0.09634,0.77072,8.0,-0.2554,1.9448,,0.9444,0.19563,gaussian_dos_scf_mesh,0.00283,,
408
  OSC-00443,2AsKNi-1,2AsKNi-1,As2K2Ni2,discovery,light,,ok,0.17277,1.38216,8.0,2.2575,1.1496,,0.1111,1.13638,gaussian_dos_scf_mesh,0.04726,,
409
+ OSC-00444,1AsNi2S2-1,1AsNi2S2-1,AsNi2S2,discovery,light,,ok,0.21774,1.74192,8.0,-2.5436,1.2563,,0.2222,0.64669,gaussian_dos_scf_mesh,0.04812,,