SeaWolf-AI commited on
Commit
fb123dd
·
verified ·
1 Parent(s): a8e9a89

Discovery: add I2O2Ti2 (2IOTi-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -700,3 +700,4 @@ OSC-00949,1ScH2O2-1,1ScH2O2-1,H2O2Sc,discovery,light,,ok,0.20637,1.65096,8.0,0.8
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  OSC-00950,1HNiOS-1,1HNiOS-1,HNiOS,discovery,light,,ok,0.23113,1.84904,8.0,-3.097,0.9997,,0.0,0.48256,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00951,1NHf2O2-1,1NHf2O2-1,Hf2NO2,discovery,light,,ok,0.24256,1.94048,8.0,2.242,1.0,,0.0,0.6405,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00953,1O2N3Hf4-1,1O2N3Hf4-1,Hf4N3O2,discovery,light,,ok,0.19537,1.56296,8.0,5.8624,1.0721,,0.0556,0.27149,gaussian_dos_scf_mesh,0.04523,,
 
 
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  OSC-00950,1HNiOS-1,1HNiOS-1,HNiOS,discovery,light,,ok,0.23113,1.84904,8.0,-3.097,0.9997,,0.0,0.48256,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00951,1NHf2O2-1,1NHf2O2-1,Hf2NO2,discovery,light,,ok,0.24256,1.94048,8.0,2.242,1.0,,0.0,0.6405,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00953,1O2N3Hf4-1,1O2N3Hf4-1,Hf4N3O2,discovery,light,,ok,0.19537,1.56296,8.0,5.8624,1.0721,,0.0556,0.27149,gaussian_dos_scf_mesh,0.04523,,
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+ OSC-00959,2IOTi-1,2IOTi-1,I2O2Ti2,discovery,light,,ok,0.22029,1.76232,8.0,0.5906,1.3176,,0.2778,0.64861,gaussian_dos_scf_mesh,0.05849,,