SeaWolf-AI commited on
Commit
b0d61ad
·
verified ·
1 Parent(s): 26626f6

Discovery: add I2S2Zr2 (2ISZr-1)

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Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -204,3 +204,4 @@ OSC-00179,2IPdSe-1,2IPdSe-1,I2Pd2Se2,discovery,light,,ok,0.25441,2.03528,8.0,-0.
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  OSC-00180,2IPdTe-1,2IPdTe-1,I2Pd2Te2,discovery,light,,ok,0.28414,2.27312,8.0,-0.2093,1.2271,,0.2222,0.64649,gaussian_dos_scf_mesh,0.04812,,
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  OSC-00181,2IPtSe-1,2IPtSe-1,I2Pt2Se2,discovery,light,,ok,0.34149,2.73192,8.0,0.362,1.0601,,0.0556,0.41437,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00182,2IPtTe-1,2IPtTe-1,I2Pt2Te2,discovery,light,,ok,0.37526,3.00208,8.0,0.3904,1.0474,,0.0556,0.53525,gaussian_dos_scf_mesh,0.04523,,
 
 
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  OSC-00180,2IPdTe-1,2IPdTe-1,I2Pd2Te2,discovery,light,,ok,0.28414,2.27312,8.0,-0.2093,1.2271,,0.2222,0.64649,gaussian_dos_scf_mesh,0.04812,,
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  OSC-00181,2IPtSe-1,2IPtSe-1,I2Pt2Se2,discovery,light,,ok,0.34149,2.73192,8.0,0.362,1.0601,,0.0556,0.41437,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00182,2IPtTe-1,2IPtTe-1,I2Pt2Te2,discovery,light,,ok,0.37526,3.00208,8.0,0.3904,1.0474,,0.0556,0.53525,gaussian_dos_scf_mesh,0.04523,,
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+ OSC-00186,2ISZr-1,2ISZr-1,I2S2Zr2,discovery,light,,ok,0.31729,2.53832,8.0,0.3059,1.1598,,0.1667,0.27877,gaussian_dos_scf_mesh,0.05569,,