|
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 | Sc | LT | m320 | - |
| info | - | W | cI2 | STABLE | -0.0000 | - | - | 2 | 2 | Fe | LT | h320 | - |
| info | 7 | MgZn2 | hP12 | STABLE | -0.2049 | - | 0.02 | 12 | 8:4 | Fe:Sc | LT | m320 | - |
| info | 9 | Rh13Sc57 | cP140 | STABLE | -0.0689 | - | 0.17 | 140 | 24:116 | Fe:Sc | ? | m320 | - |
| info | 6 | MgNi2 | hP24 | 0.0110 | -0.1938 | - | 0.03 | 24 | 16:8 | Fe:Sc | HT | m320 | - |
| info | 1 | Cu2Mg | cF24 | 0.0233 | -0.1815 | - | - | 6 | 4:2 | Fe:Sc | HT | m320 | - |
| info | - | Cu | cF4 | 0.045584 | 0.0456 | - | - | 4 | 4 | Sc | MS | m320 | - |
| info | - | In | tI2 | 0.045903 | 0.0459 | - | - | 2 | 2 | Sc | HP | m320 | - |
| info | - | *Fe-AFMD | - | 0.080123 | 0.0801 | - | - | 4 | 4 | Fe | HT | h335 | - |
| info | - | W | cI2 | 0.104377 | 0.1044 | - | - | 2 | 2 | Sc | HT | m320 | - |
| info | - | Np | tP4 | 0.105402 | 0.1054 | - | 0.45 | 4 | 4 | Sc | HP | m320 | - |
 |