|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
| info | 13 | CFe3W3 | cF112 | STABLE | -0.0499 | - | 0.09 | 28 | 4:12:12 | C:Fe:Mo | MS | m400 | - |
| info | 8 | C5Fe11Mo6 | mC44 | 0.0216 | -0.0101 | - | 0.08 | 22 | 5:11:6 | C:Fe:Mo | MS | m400 | - |
| info | 9 | C6Cr23 | cF116 | 0.0304 | 0.0224 | - | 0.05 | 29 | 6:21:2 | C:Fe:Mo | MS | m400 | - |
| info | 12 | C6Cr23 | cF116 | 0.0309 | 0.0269 | 0.01 | 0.07 | 29 | 6:22:1 | C:Fe:Mo | ? | m400 | Mo1@8c |
| info | 10 | C6Cr23 | cF116 | 0.0632 | 0.0592 | 0.04 | 0.12 | 29 | 6:22:1 | C:Fe:Mo | ? | m400 | Mo1@32f |
| info | 11 | C6Cr23 | cF116 | 0.0731 | 0.0691 | - | 0.08 | 29 | 6:22:1 | C:Fe:Mo | ? | m400 | Mo1@4a |
| info | 17 | Mn12Th | tI28 | 0.1534 | 0.1284 | 0.00 | 0.08 | 14 | 1:10:3 | C:Fe:Mo | ? | m400 | - |
| info | 16 | Fe17N3Nd2 | hR22 | 0.2095 | 0.1989 | - | 0.21 | 22 | 3:17:2 | C:Fe:Mo | ? | m400 | - |
| info | 6 | BFe14Nd2 | tP68 | 0.2114 | 0.1977 | - | 0.17 | 68 | 4:56:8 | C:Fe:Mo | ? | m400 | - |
| info | 15 | Fe17N3Nd2 | hR22 | 0.2133 | 0.2022 | 0.13 | 0.14 | 21 | 2:17:2 | C:Fe:Mo | ? | m400 | - |
| info | 14 | Fe17N3Nd2 | hR22 | 0.2238 | 0.2122 | 0.09 | 0.12 | 20 | 1:17:2 | C:Fe:Mo | ? | m400 | - |
| info | 5 | BCeCo4 | hP12 | 0.2523 | 0.2329 | - | 0.09 | 12 | 2:8:2 | C:Fe:Mo | ? | m400 | - |
| info | 18 | Si2U3 | tP10 | 0.3488 | 0.3255 | - | 0.01 | 10 | 4:2:4 | C:Fe:Mo | ? | m400 | - |
| info | 1 | Al4Ba | tI10 | 0.4620 | 0.4387 | - | 0.01 | 5 | 2:2:1 | C:Fe:Mo | ? | m400 | - |
| info | 7 | C4Er2Fe | oI28 | 0.6843 | 0.6677 | - | 0.15 | 14 | 8:2:4 | C:Fe:Mo | ? | m400 | - |
| info | 3 | B4Ta3 | oI14 | 0.9053 | 0.8886 | - | 0.56 | 7 | 4:2:1 | C:Fe:Mo | ? | m400 | - |
| info | 2 | B4CrY | oP24 | 1.0674 | 1.0480 | - | 0.33 | 24 | 16:4:4 | C:Fe:Mo | ? | m400 | - |
| info | 4 | B7ReY3 | oC44 | 1.2163 | 1.2057 | - | 0.33 | 22 | 14:2:6 | C:Fe:Mo | ? | m400 | - |
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