|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
| info | - | W | cI2 | STABLE | 0.0000 | - | - | 2 | 2 | Fe | LT | h400 | - |
| info | - | Mg | hP2 | STABLE | 0.0000 | - | - | 2 | 2 | Sc | LT | m400 | - |
| info | 6 | MgNi2 | hP24 | STABLE | -0.2950 | - | 0.01 | 24 | 16:8 | Fe:Sc | HT | m400 | - |
| info | 9 | Rh13Sc57 | cP140 | 0.0026 | -0.0733 | - | 0.37 | 140 | 24:116 | Fe:Sc | LT | m400 | - |
| info | 7 | MgZn2 | hP12 | 0.0122 | -0.2828 | - | 0.01 | 12 | 8:4 | Fe:Sc | LT | m400 | - |
| info | - | In | tI2 | 0.045949 | 0.0459 | - | - | 1 | 1 | Sc | HP | m400 | - |
| info | - | Cu | cF4 | 0.045956 | 0.0460 | - | - | 1 | 1 | Sc | MS | m400 | - |
| info | - | *Fe-AFMD | - | 0.078373 | 0.0784 | - | - | 4 | 4 | Fe | HT | h400 | - |
| info | - | W | cI2 | 0.103185 | 0.1032 | - | - | 1 | 1 | Sc | HT | m400 | - |
| info | - | Np | tP4 | 0.112054 | 0.1121 | - | 0.31 | 4 | 4 | Sc | HP | m400 | - |
| info | 1 | Cu2Mg | cF24 | 0.1131 | -0.1819 | - | - | 6 | 4:2 | Fe:Sc | HT | m400 | - |
 |