|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
| info | 2 | Be3Nb | hR12 | STABLE | -0.2344 | - | 0.05 | 12 | 9:3 | Fe:Zr | ? | m400 | - |
| info | 4 | Cu2Mg | cF24 | STABLE | -0.2909 | - | - | 6 | 4:2 | Fe:Zr | LT | m400 | - |
| info | - | W | cI2 | STABLE | 0.0000 | - | - | 2 | 2 | Fe | LT | h400 | - |
| info | 3 | BRe3 | oC16 | STABLE | -0.1428 | - | 0.23 | 8 | 2:6 | Fe:Zr | LT | m400 | - |
| info | - | Mg | hP2 | STABLE | 0.0000 | - | - | 2 | 2 | Zr | LT | m400 | - |
| info | 7 | MgNi2 | hP24 | 0.0046 | -0.2863 | - | 0.01 | 24 | 16:8 | Fe:Zr | MS | m400 | - |
| info | 1 | Al2Cu | tI12 | 0.0108 | -0.1616 | - | 0.06 | 6 | 2:4 | Fe:Zr | HT | m400 | - |
| info | 8 | Mn23Th6 | cF116 | 0.0189 | -0.1752 | - | 0.11 | 29 | 23:6 | Fe:Zr | HT | m400 | - |
| info | - | W | cI2 | 0.074892 | 0.0749 | - | - | 2 | 2 | Zr | HT | m400 | - |
| info | - | *Fe-AFMD | - | 0.078373 | 0.0784 | - | - | 4 | 4 | Fe | HT | h400 | - |
 |