|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
| info | - | C | hP4 | STABLE | 0.0000 | - | - | 4 | 4 | C | LT | m400 | - |
| info | - | W | cI2 | STABLE | 0.0000 | - | - | 2 | 2 | Fe | LT | h400 | - |
| info | 4 | C6Cr23 | cF116 | 0.0434 | 0.0434 | - | 0.03 | 29 | 6:23 | C:Fe | MS | m400 | - |
| info | 7 | CFe2 | oP6 | 0.0453 | 0.0453 | - | 0.06 | 6 | 2:4 | C:Fe | MS | m400 | - |
| info | 9 | CFe3 | oP16 | 0.0463 | 0.0463 | - | 0.04 | 16 | 4:12 | C:Fe | MS | m400 | - |
| info | 1 | B2Pd5 | mC28 | 0.0469 | 0.0469 | - | 0.06 | 28 | 8:20 | C:Fe | MS | m400 | - |
| info | 8 | CFe3 | hP8 | 0.0489 | 0.0489 | - | 0.06 | 8 | 2:6 | C:Fe | MS | m400 | - |
| info | 12 | Fe3Th7 | hP20 | 0.0691 | 0.0691 | - | 0.07 | 20 | 6:14 | C:Fe | MS | m400 | - |
| info | - | *Fe-AFMD | - | 0.078373 | 0.0784 | - | - | 4 | 4 | Fe | HT | h400 | - |
| info | - | C | cF8 | 0.135088 | 0.1351 | - | - | 8 | 8 | C | MS | m400 | - |
| info | 6 | *cct-glass | *T32 | 0.2044 | 0.2044 | - | - | 40 | 8:32 | C:Fe | ? | m400 | - |
| info | 10 | CFe4 | cP5 | 0.5076 | 0.5076 | - | 0.03 | 5 | 1:4 | C:Fe | MS | m400 | - |
| info | 2 | BCr | oC8 | 0.5736 | 0.5736 | - | 0.13 | 4 | 2:2 | C:Fe | ? | m400 | - |
| info | 3 | BiF3 | cF16 | 0.8112 | 0.8112 | - | - | 16 | 4:12 | C:Fe | ? | m400 | - |
 |