SeaWolf-AI commited on
Commit
4274952
·
verified ·
1 Parent(s): 37ef429

Discovery: add PSe2Zr2 (1PSe2Zr2-1)

Browse files
Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -288,3 +288,4 @@ OSC-00289,1NiScSe2-1,1NiScSe2-1,NiScSe2,discovery,light,,ok,0.12965,1.0372,8.0,-
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  OSC-00291,1PS2Ti2-1,1PS2Ti2-1,PS2Ti2,discovery,light,,ok,0.19029,1.52232,8.0,-1.9367,0.994,,0.0,0.63643,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00292,1PS2Zr2-1,1PS2Zr2-1,PS2Zr2,discovery,light,,ok,0.24172,1.93376,8.0,-1.6753,0.9783,,0.0556,0.52535,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00293,1PSe2Ti2-1,1PSe2Ti2-1,PSe2Ti2,discovery,light,,ok,0.22245,1.7796,8.0,-1.5942,1.0224,,0.0,0.55604,gaussian_dos_scf_mesh,0.03844,,
 
 
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  OSC-00291,1PS2Ti2-1,1PS2Ti2-1,PS2Ti2,discovery,light,,ok,0.19029,1.52232,8.0,-1.9367,0.994,,0.0,0.63643,gaussian_dos_scf_mesh,0.03844,,
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  OSC-00292,1PS2Zr2-1,1PS2Zr2-1,PS2Zr2,discovery,light,,ok,0.24172,1.93376,8.0,-1.6753,0.9783,,0.0556,0.52535,gaussian_dos_scf_mesh,0.04523,,
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  OSC-00293,1PSe2Ti2-1,1PSe2Ti2-1,PSe2Ti2,discovery,light,,ok,0.22245,1.7796,8.0,-1.5942,1.0224,,0.0,0.55604,gaussian_dos_scf_mesh,0.03844,,
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+ OSC-00294,1PSe2Zr2-1,1PSe2Zr2-1,PSe2Zr2,discovery,light,,ok,0.27487,2.19896,8.0,-1.4651,0.9769,,0.0556,0.49314,gaussian_dos_scf_mesh,0.04523,,