|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
| info | 3 | B4Th | tP20 | STABLE | -0.5974 | - | 0.00 | 20 | 16:4 | B:Y_sv | LT | m319 | - |
| info | 1 | AlB2 | hP3 | STABLE | -0.5761 | - | - | 3 | 2:1 | B:Y_sv | LT | m319 | - |
| info | - | Mg | hP2 | STABLE | -0.0000 | - | - | 2 | 2 | Y_sv | LT | h320 | - |
| info | - | B | hR12 | STABLE | -0.0000 | - | 0.00 | 12 | 12 | B | MS | m319 | - |
| info | 2 | B12U | cF52 | STABLE | -0.2469 | - | 0.02 | 13 | 12:1 | B:Y_sv | LT | m319 | - |
| info | - | beta-B | hR141 | 0.005743 | 0.0057 | 0.16 | 0.03 | 106 | 106 | B | ? | m319 | - |
| info | 6 | *B6Y.2x2x2 | - | 0.0155 | -0.3748 | - | - | 55 | 48:7 | B:Y_sv | LT | m319 | - |
| info | 5 | *B6Y.2x2x2 | - | 0.0228 | -0.3215 | - | - | 54 | 48:6 | B:Y_sv | LT | m319 | - |
| info | 4 | B6Ca | cP7 | 0.0272 | -0.4075 | - | 0.03 | 7 | 6:1 | B:Y_sv | LT | m319 | - |
| info | 7 | BCr | oC8 | 0.0772 | -0.3549 | - | 0.48 | 4 | 2:2 | B:Y_sv | ? | m319 | - |
| info | - | B | tP50 | 0.091787 | 0.0918 | - | 0.14 | 50 | 50 | B | MS | m319 | - |
| info | - | W | cI2 | 0.127245 | 0.1272 | - | - | 2 | 2 | Y_sv | HT | h320 | - |
| info | 11 | C3Pu2 | cI40 | 0.4041 | -0.1144 | - | 0.15 | 20 | 12:8 | B:Y_sv | ? | m319 | - |
| info | 12 | ClNa | cF8 | 0.7672 | 0.3352 | - | - | 2 | 1:1 | B:Y_sv | ? | m319 | - |
 |