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58
SeaWolf-AI commited on
Commit
bd0e20d
·
verified ·
1 Parent(s): 2c277d2

Discovery: add Cu6S4 (2S2Cu3-1)

Browse files
Files changed (1) hide show
  1. active_challenge.csv +1 -0
active_challenge.csv CHANGED
@@ -151,3 +151,4 @@ OSC-00113,2CuTe-1,2CuTe-1,Cu2Te2,discovery,light,,ok,0.51995,4.1596,8.0,-1.7369,
151
  OSC-00114,2CuTe-2,2CuTe-2,Cu2Te2,discovery,light,,ok,0.26567,2.12536,8.0,-0.1879,0.64,,0.3889,0.58841,gaussian_dos_scf_mesh,0.01269,,
152
  OSC-00115,1Se2Cu3-1,1Se2Cu3-1,Cu3Se2,discovery,light,,ok,0.20528,1.64224,8.0,-0.3696,1.4181,,0.3889,0.43864,gaussian_dos_scf_mesh,0.01269,,
153
  OSC-00116,2SCu2-2,2SCu2-2,Cu4S2,discovery,light,,ok,0.20885,1.6708,8.0,-0.2094,1.7369,,0.7222,0.15767,gaussian_dos_scf_mesh,0.00718,,
 
 
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  OSC-00114,2CuTe-2,2CuTe-2,Cu2Te2,discovery,light,,ok,0.26567,2.12536,8.0,-0.1879,0.64,,0.3889,0.58841,gaussian_dos_scf_mesh,0.01269,,
152
  OSC-00115,1Se2Cu3-1,1Se2Cu3-1,Cu3Se2,discovery,light,,ok,0.20528,1.64224,8.0,-0.3696,1.4181,,0.3889,0.43864,gaussian_dos_scf_mesh,0.01269,,
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  OSC-00116,2SCu2-2,2SCu2-2,Cu4S2,discovery,light,,ok,0.20885,1.6708,8.0,-0.2094,1.7369,,0.7222,0.15767,gaussian_dos_scf_mesh,0.00718,,
154
+ OSC-00117,2S2Cu3-1,2S2Cu3-1,Cu6S4,discovery,light,,ok,0.2124,1.6992,8.0,-0.5157,1.1185,,0.1111,0.35888,gaussian_dos_scf_mesh,0.04726,,