|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
info | 14 | Th2Zn17 | hR19 | STABLE | -0.0853 | - | 0.12 | 19 | 2:17 | Ce:Co | LT | a300 | - |
info | - | In | tI2 | STABLE | -0.0000 | - | - | 1 | 1 | Ce | HP | a300 | - |
info | 3 | Ce24Co11 | hP70 | STABLE | -0.1395 | - | 0.34 | 70 | 48:22 | Ce:Co | LT | a300 | - |
info | - | Mg | hP2 | STABLE | -0.0000 | - | - | 2 | 2 | Co | LT | a300 | - |
info | 5 | Co7Er2 | hR18 | STABLE | -0.1728 | - | 0.10 | 18 | 4:14 | Ce:Co | LT | m300 | - |
info | 6 | Cu2Mg | cF24 | STABLE | -0.2533 | - | - | 6 | 2:4 | Ce:Co | LT | m300 | - |
info | - | Cu | cF4 | 0.002524 | 0.0025 | - | - | 1 | 1 | Ce | LT | a300 | - |
info | 4 | Ce5Co19 | hR24 | 0.0048 | -0.1576 | - | 0.14 | 24 | 5:19 | Ce:Co | LT | a300 | - |
info | 13 | Ni17Th2 | hP38 | 0.0050 | -0.0803 | - | 0.12 | 38 | 4:34 | Ce:Co | HT | a300 | - |
info | 1 | Be3Nb | hR12 | 0.0121 | -0.1808 | - | 0.08 | 12 | 3:9 | Ce:Co | LT | a300 | - |
info | - | Cu | cF4 | 0.017697 | 0.0177 | - | - | 1 | 1 | Co | HT | a300 | - |
info | 2 | CaCu5 | hP6 | 0.0233 | -0.1079 | - | - | 6 | 1:5 | Ce:Co | HT | a300 | - |
info | - | U | oC4 | 0.036934 | 0.0369 | - | 0.01 | 2 | 2 | Ce | HP | a300 | - |
info | - | La | hP4 | 0.048951 | 0.0490 | - | - | 4 | 4 | Ce | HT | a300 | - |
info | - | Mg | hP2 | 0.090279 | 0.0903 | - | - | 2 | 2 | Ce | HP | a300 | - |
info | - | W | cI2 | 0.235298 | 0.2353 | - | - | 1 | 1 | Ce | HT | a300 | - |
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