|
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 | Y_sv | LT | h320 | - |
| info | - | Mg | hP2 | STABLE | -0.0000 | - | - | 2 | 2 | Zr | LT | h320 | - |
| info | - | W | cI2 | 0.070663 | 0.0707 | - | - | 2 | 2 | Zr | HT | h320 | - |
| info | 1 | Al3Ti | tI8 | 0.1237 | 0.1237 | - | - | 4 | 1:3 | Y_sv:Zr | ? | h320 | - |
| info | 4 | AuCu3 | cP4 | 0.1266 | 0.1266 | - | - | 4 | 1:3 | Y_sv:Zr | ? | h320 | - |
| info | - | W | cI2 | 0.127245 | 0.1272 | - | - | 2 | 2 | Y_sv | HT | h320 | - |
| info | 11 | Ni3P | tI32 | 0.1881 | 0.1881 | - | 0.26 | 16 | 12:4 | Y_sv:Zr | ? | h320 | - |
| info | 6 | CFe3 | oP16 | 0.1995 | 0.1995 | - | 0.25 | 16 | 12:4 | Y_sv:Zr | ? | h320 | - |
| info | 7 | ClCs | cP2 | 0.2775 | 0.2775 | - | - | 2 | 1:1 | Y_sv:Zr | ? | h320 | - |
| info | 8 | FeSi | cP8 | 0.3020 | 0.3020 | - | 0.15 | 8 | 4:4 | Y_sv:Zr | ? | h320 | - |
| info | 5 | BiF3 | cF16 | 0.3402 | 0.3402 | - | - | 4 | 3:1 | Y_sv:Zr | ? | h320 | - |
| info | 2 | AlCu | mC20 | 0.5126 | 0.5126 | - | 0.21 | 10 | 5:5 | Y_sv:Zr | ? | h320 | - |
| info | 3 | AsNi | hP4 | 0.7472 | 0.7472 | - | - | 4 | 2:2 | Y_sv:Zr | ? | h320 | - |
 |