|
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 | Zr | LT | h320 | - |
| info | - | beta-B | hR141 | STABLE | 0.0000 | 0.16 | 0.03 | 106 | 106 | B | ? | m319 | - |
| info | 1 | AlB2 | hP3 | STABLE | -1.0033 | - | - | 3 | 2:1 | B:Zr | LT | m319 | - |
| info | 1 | B5Mo2 | hR7 | STABLE | 0.0000 | - | 0.08 | 7 | 5:2 | B:Zr_sv | ? | m319 | - |
| info | - | beta-B | hR141 | 0.004331 | 0.0043 | 0.16 | 0.03 | 107 | 107 | B | ? | m319 | - |
| info | 2 | B12U | cF52 | 0.0069 | -0.2247 | - | 0.01 | 13 | 12:1 | B:Zr | HT | m319 | - |
| info | - | W | cI2 | 0.070663 | 0.0707 | - | - | 2 | 2 | Zr | HT | h320 | - |
| info | 7 | BCr | oC8 | 0.0786 | -0.6738 | - | 0.13 | 4 | 2:2 | B:Zr | ? | m319 | - |
| info | - | B | tP50 | 0.086191 | 0.0862 | - | 0.14 | 50 | 50 | B | MS | m319 | - |
| info | 11 | BMo | tI16 | 0.1223 | -0.6302 | - | 0.07 | 8 | 4:4 | B:Zr | ? | m319 | - |
| info | 19 | Si2U3 | tP10 | 0.1539 | -0.4480 | - | 0.15 | 10 | 4:6 | B:Zr | ? | m319 | - |
| info | 18 | Si2U3 | tI10 | 0.1652 | -0.4368 | - | 0.14 | 10 | 4:6 | B:Zr | ? | m319 | - |
| info | 4 | B4Th | tP20 | 0.2160 | -0.3859 | - | 0.03 | 20 | 16:4 | B:Zr | ? | m319 | - |
| info | 15 | ClNa | cF8 | 0.2881 | -0.0129 | - | - | 5 | 1:4 | B:Zr | ? | m319 | - |
| info | 14 | ClNa | cF8 | 0.3735 | -0.3790 | - | - | 2 | 1:1 | B:Zr | HT | m319 | - |
| info | 10 | BIr | oC16 | 0.3829 | -0.3695 | - | 0.24 | 8 | 4:4 | B:Zr | ? | m319 | - |
| info | 6 | B6Ca | cP7 | 0.3965 | -0.0335 | - | 0.04 | 7 | 6:1 | B:Zr | ? | m319 | - |
| info | 13 | CaSi2 | hR6 | 0.4497 | -0.5536 | - | 0.12 | 6 | 4:2 | B:Zr | ? | m319 | - |
| info | 3 | B15Mo4 | hP16 | 0.5588 | -0.0432 | 0.02 | 0.01 | 15 | 12:3 | B:Zr | ? | m319 | - |
| info | 17 | Si2Th | tI12 | 1.0015 | 0.2490 | 0.05 | 0.05 | 4 | 2:2 | B:Zr | ? | m319 | - |
 |