|
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 | m400 | - |
| info | 4 | C4Sc3 | tP70 | STABLE | -0.3532 | - | 0.09 | 70 | 40:30 | C:Y_sv | LT | m400 | - |
| info | - | C | hP4 | STABLE | 0.0000 | - | - | 4 | 4 | C | LT | m400 | - |
| info | 7 | C7Ho4 | mP44 | STABLE | -0.3157 | - | 0.10 | 44 | 28:16 | C:Y_sv | MS | m400 | - |
| info | 10 | CdCl2 | hR3 | STABLE | -0.3144 | - | 0.18 | 3 | 1:2 | C:Y_sv | LT | m400 | - |
| info | 1 | C19Sc15 | tP68 | 0.0427 | -0.3085 | - | 0.69 | 68 | 38:30 | C:Y_sv | ? | m400 | - |
| info | 3 | C3Pu2 | cI40 | 0.0433 | -0.2935 | - | 0.10 | 20 | 12:8 | C:Y_sv | MS | m400 | - |
| info | 2 | C2Ca | tI6 | 0.0609 | -0.2285 | - | 0.01 | 3 | 2:1 | C:Y_sv | HT | m400 | - |
| info | 14 | ClNa | cF8 | 0.1166 | -0.1978 | - | - | 6 | 2:4 | C:Y_sv | HT | m400 | - |
| info | - | W | cI2 | 0.129212 | 0.1292 | - | - | 2 | 2 | Y_sv | HT | m400 | - |
| info | - | C | cF8 | 0.135088 | 0.1351 | - | - | 8 | 8 | C | MS | m400 | - |
| info | 13 | ClNa | cF8 | 0.1541 | -0.0345 | - | - | 5 | 1:4 | C:Y_sv | HT | m400 | - |
| info | 15 | ClNa | cF8 | 0.1841 | -0.1458 | - | - | 7 | 3:4 | C:Y_sv | HT | m400 | - |
| info | 12 | ClNa | cF8 | 0.3420 | 0.0004 | - | - | 2 | 1:1 | C:Y_sv | HT | m400 | - |
| info | 16 | ClNa | cF8 | 0.3594 | 0.0178 | - | - | 8 | 4:4 | C:Y_sv | HT | m400 | - |
| info | 5 | *C5Y4.cF8 | - | 0.5724 | 0.2217 | - | - | 9 | 5:4 | C:Y_sv | HT | m400 | - |
| info | 6 | *C6Y4_is2C | - | 1.0641 | 0.7273 | - | - | 10 | 6:4 | C:Y_sv | HT | m400 | - |
| info | 8 | CaF2 | cF12 | 1.9685 | 1.6791 | - | - | 3 | 2:1 | C:Y_sv | HT | m400 | - |
 |