|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
| info | - | W | cI2 | STABLE | -0.0000 | - | - | 2 | 2 | Fe | LT | h320 | - |
| info | 1 | Al2Cu | tI12 | STABLE | -0.3016 | - | 0.00 | 6 | 2:4 | B:Fe | LT | m319 | - |
| info | 15 | BFe | oP8 | STABLE | -0.3649 | - | 0.04 | 8 | 4:4 | B:Fe | LT | m319 | - |
| info | - | beta-B | hR141 | STABLE | 0.0000 | 0.16 | 0.03 | 106 | 106 | B | ? | m319 | - |
| info | 11 | BCr | oC8 | 0.0014 | -0.3635 | - | 0.04 | 8 | 4:4 | B:Fe | MS | m319 | - |
| info | - | beta-B | hR141 | 0.004331 | 0.0043 | 0.16 | 0.03 | 107 | 107 | B | ? | m319 | - |
| info | 8 | B49Fe | hR113 | 0.0065 | -0.0073 | 0.11 | 0.20 | 106 | 104:2 | B:Fe | MS | m319 | - |
| info | 25 | CFe3 | oP16 | 0.0140 | -0.2123 | - | 0.23 | 16 | 4:12 | B:Fe | MS | m319 | - |
| info | 7 | B3Ni4 | oP28 | 0.0149 | -0.3229 | - | 0.10 | 28 | 12:16 | B:Fe | ? | m319 | - |
| info | 27 | CoSc3 | oP32 | 0.0150 | -0.2112 | - | 0.23 | 32 | 8:24 | B:Fe | ? | m319 | - |
| info | 17 | BRe3 | oC16 | 0.0165 | -0.2097 | - | 0.10 | 8 | 2:6 | B:Fe | ? | m319 | - |
| info | 21 | C6Cr23 | cF116 | 0.0177 | -0.1695 | - | 0.02 | 29 | 6:23 | B:Fe | MS | m319 | - |
| info | 31 | Ni3P | tI32 | 0.0192 | -0.2070 | - | 0.20 | 16 | 4:12 | B:Fe | MS | m319 | - |
| info | 6 | B3Ni4 | mC28 | 0.0218 | -0.3160 | - | 0.10 | 14 | 6:8 | B:Fe | ? | m319 | - |
| info | 5 | B2Pd5 | mC28 | 0.0309 | -0.2276 | - | 0.13 | 14 | 4:10 | B:Fe | ? | m319 | - |
| info | 20 | C3Cr7 | oP40 | 0.0314 | -0.2400 | - | 0.15 | 40 | 12:28 | B:Fe | ? | m319 | - |
| info | 29 | Fe3Th7 | hP20 | 0.0361 | -0.2354 | - | 0.10 | 20 | 6:14 | B:Fe | ? | m319 | - |
| info | 28 | Fe2P | hP9 | 0.0587 | -0.2429 | - | 0.03 | 9 | 3:6 | B:Fe | ? | m319 | - |
| info | 26 | Co2Si | oP12 | 0.0609 | -0.2407 | - | 0.32 | 12 | 4:8 | B:Fe | ? | m319 | - |
| info | 22 | Ca2Cu | oP12 | 0.0706 | -0.2310 | - | 0.08 | 12 | 4:8 | B:Fe | ? | m319 | - |
| info | - | *Fe-AFMD | - | 0.080123 | 0.0801 | - | - | 4 | 4 | Fe | HT | h335 | - |
| info | 10 | B4Ta3 | oI14 | 0.0820 | -0.2308 | - | 0.14 | 7 | 4:3 | B:Fe | ? | m319 | - |
| info | - | B | tP50 | 0.086191 | 0.0862 | - | 0.14 | 50 | 50 | B | MS | m319 | - |
| info | 19 | C2Cr3 | oP20 | 0.0967 | -0.2302 | - | 0.06 | 20 | 8:12 | B:Fe | ? | m319 | - |
| info | 32 | *quench | - | 0.1505 | -0.0304 | - | - | 100 | 20:80 | B:Fe | ? | m319 | - |
| info | 2 | AlB2 | hP3 | 0.2070 | -0.0362 | - | - | 3 | 2:1 | B:Fe | ? | m319 | - |
| info | 23 | *cct-glass | *T32 | 0.2167 | 0.0357 | - | - | 40 | 8:32 | B:Fe | ? | m319 | - |
| info | 24 | CFe3 | hP8 | 0.2523 | 0.0261 | - | 0.13 | 8 | 2:6 | B:Fe | ? | m319 | - |
| info | 14 | BFe14Nd2 | tP68 | 0.2684 | 0.2152 | - | 0.30 | 68 | 4:64 | B:Fe | ? | m319 | - |
| info | 3 | AuCu3 | cP4 | 0.3327 | 0.1065 | - | - | 4 | 1:3 | B:Fe | ? | m319 | - |
| info | 16 | BiF3 | cF16 | 0.3329 | 0.1067 | - | - | 4 | 1:3 | B:Fe | ? | m319 | - |
| info | 4 | B12U | cF52 | 0.3479 | 0.2917 | - | 0.03 | 13 | 12:1 | B:Fe | ? | m319 | - |
| info | 9 | B4Mn | mC10 | 0.6560 | 0.5100 | 0.21 | 0.16 | 5 | 4:1 | B:Fe | ? | m319 | - |
 |