|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
info | - | Mg | hP2 | STABLE | -0.0000 | - | - | 2 | 2 | Co | ? | m300 | - |
info | - | Cu | cF4 | STABLE | -0.0000 | - | - | 4 | 4 | Ce | ? | m300 | - |
info | 16 | Th2Zn17 | hR19 | STABLE | -0.0894 | - | 0.12 | 19 | 2:17 | Ce:Co | ? | m300 | - |
info | 7 | Cu2Mg | cF24 | STABLE | -0.2513 | - | - | 6 | 2:4 | Ce:Co | ? | m300 | - |
info | 2 | Be3Nb | hR12 | 0.0011 | -0.1910 | - | 0.08 | 12 | 3:9 | Ce:Co | ? | m300 | - |
info | 6 | Co7Er2 | hR18 | 0.0022 | -0.1702 | - | 0.07 | 18 | 4:14 | Ce:Co | ? | m300 | - |
info | 15 | Ni17Th2 | hP38 | 0.0057 | -0.0836 | - | 0.12 | 38 | 4:34 | Ce:Co | ? | m300 | - |
info | - | Cu | cF4 | 0.017381 | 0.0174 | - | - | 4 | 4 | Co | ? | m300 | - |
info | 3 | CaCu5 | hP6 | 0.0243 | -0.1087 | - | - | 6 | 1:5 | Ce:Co | ? | m300 | - |
info | 11 | Cu7Tb | hP8 | 0.0245 | -0.1084 | - | - | 6 | 1:5 | Ce:Co | ? | m300 | - |
info | 5 | Ce5Co19 | hR24 | 0.0263 | -0.1362 | - | 0.00 | 24 | 5:19 | Ce:Co | ? | m300 | - |
info | 1 | Al4Ba | tI10 | 0.1360 | -0.0206 | - | 0.08 | 5 | 1:4 | Ce:Co | ? | m300 | - |
info | - | Cu2Mg | cF24 | 0.198404 | 0.1984 | - | - | 6 | 6 | Co | ? | m300 | - |
info | - | Cu2Mg | cF24 | 0.211429 | 0.2114 | - | - | 6 | 6 | Ce | ? | m300 | - |
info | 4 | CaCu5 | hP6 | 0.7780 | 0.7152 | - | - | 6 | 5:1 | Ce:Co | ? | m300 | - |
info | 8 | Cu2Mg | cF24 | 0.9050 | 0.7794 | - | - | 6 | 4:2 | Ce:Co | ? | m300 | - |
|