|
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 | - | B | hR12 | STABLE | -0.0000 | - | 0.00 | 12 | 12 | B | MS | m319 | - |
| info | 1 | AlB2 | hP3 | STABLE | -0.9994 | - | - | 3 | 2:1 | B:Zr | LT | m319 | - |
| info | - | beta-B | hR141 | 0.005743 | 0.0057 | 0.16 | 0.03 | 106 | 106 | B | ? | m319 | - |
| info | 2 | B12U | cF52 | 0.0113 | -0.2194 | - | 0.01 | 13 | 12:1 | B:Zr | HT | m319 | - |
| info | - | W | cI2 | 0.070663 | 0.0707 | - | - | 2 | 2 | Zr | HT | h320 | - |
| info | 6 | BCr | oC8 | 0.0786 | -0.6710 | - | 0.13 | 4 | 2:2 | B:Zr | ? | m319 | - |
| info | - | B | tP50 | 0.091787 | 0.0918 | - | 0.14 | 50 | 50 | B | MS | m319 | - |
| info | 10 | BMo | tI16 | 0.1223 | -0.6273 | - | 0.07 | 8 | 4:4 | B:Zr | ? | m319 | - |
| info | 18 | Si2U3 | tP10 | 0.1535 | -0.4462 | - | 0.15 | 10 | 4:6 | B:Zr | ? | m319 | - |
| info | 17 | Si2U3 | tI10 | 0.1647 | -0.4349 | - | 0.14 | 10 | 4:6 | B:Zr | ? | m319 | - |
| info | 4 | B4Th | tP20 | 0.2182 | -0.3814 | - | 0.03 | 20 | 16:4 | B:Zr | ? | m319 | - |
| info | 14 | ClNa | cF8 | 0.2865 | -0.0133 | - | - | 5 | 1:4 | B:Zr | ? | m319 | - |
| info | 13 | ClNa | cF8 | 0.3735 | -0.3761 | - | - | 2 | 1:1 | B:Zr | HT | m319 | - |
| info | 9 | BIr | oC16 | 0.3828 | -0.3668 | - | 0.24 | 8 | 4:4 | B:Zr | ? | m319 | - |
| info | 5 | B6Ca | cP7 | 0.3998 | -0.0285 | - | 0.04 | 7 | 6:1 | B:Zr | ? | m319 | - |
| info | 12 | CaSi2 | hR6 | 0.4493 | -0.5501 | - | 0.12 | 6 | 4:2 | B:Zr | ? | m319 | - |
| info | 3 | B15Mo4 | hP16 | 0.5616 | -0.0381 | 0.02 | 0.01 | 15 | 12:3 | B:Zr | ? | m319 | - |
| info | 16 | Si2Th | tI12 | 1.0025 | 0.2530 | 0.05 | 0.05 | 4 | 2:2 | B:Zr | ? | m319 | - |
 |