|
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 | Zr | LT | h320 | - |
| info | 2 | Be3Nb | hR12 | STABLE | -0.2179 | - | 0.05 | 12 | 9:3 | Fe:Zr | ? | h320 | - |
| info | 3 | BRe3 | oC16 | STABLE | -0.1480 | - | 0.32 | 8 | 2:6 | Fe:Zr | LT | h320 | - |
| info | - | W | cI2 | STABLE | -0.0000 | - | - | 2 | 2 | Fe | LT | h320 | - |
| info | 5 | Cu2Mg | cF24 | STABLE | -0.2901 | - | - | 6 | 4:2 | Fe:Zr | LT | h320 | - |
| info | 8 | MgNi2 | hP24 | 0.0061 | -0.2840 | - | 0.01 | 24 | 16:8 | Fe:Zr | MS | h320 | - |
| info | 1 | Al2Cu | tI12 | 0.0143 | -0.1621 | - | 0.06 | 6 | 2:4 | Fe:Zr | HT | h320 | - |
| info | 9 | Mn12Th | tI26 | 0.0382 | -0.0288 | - | 0.03 | 13 | 12:1 | Fe:Zr | ? | m320 | - |
| info | 10 | Mn23Th6 | cF116 | 0.0383 | -0.1421 | - | 0.03 | 29 | 23:6 | Fe:Zr | HT | h320 | - |
| info | 4 | CaCu5 | hP6 | 0.0474 | -0.0979 | - | - | 6 | 5:1 | Fe:Zr | ? | h320 | - |
| info | 11 | Th2Zn17 | hR19 | 0.0489 | -0.0429 | - | 0.10 | 19 | 17:2 | Fe:Zr | ? | h320 | - |
| info | - | W | cI2 | 0.070663 | 0.0707 | - | - | 2 | 2 | Zr | HT | h320 | - |
| info | - | *Fe-AFMD | - | 0.080123 | 0.0801 | - | - | 4 | 4 | Fe | HT | h335 | - |
 |