|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
| info | 6 | CaCu5 | hP6 | STABLE | -0.0617 | - | - | 6 | 5:1 | Fe:Y_sv | MS | h320 | - |
| info | - | W | cI2 | STABLE | -0.0000 | - | - | 2 | 2 | Fe | LT | h320 | - |
| info | - | Mg | hP2 | STABLE | -0.0000 | - | - | 2 | 2 | Y_sv | LT | h320 | - |
| info | 14 | Co7Er2 | hR18 | STABLE | -0.0800 | - | 0.12 | 18 | 14:4 | Fe:Y_sv | ? | h320 | - |
| info | 15 | Cu2Mg | cF24 | STABLE | -0.0814 | - | - | 6 | 4:2 | Fe:Y_sv | LT | h320 | - |
| info | 3 | Be3Nb | hR12 | 0.0012 | -0.0792 | - | 0.04 | 12 | 9:3 | Fe:Y_sv | LT | h320 | - |
| info | 9 | CeNi3 | hP24 | 0.0015 | -0.0789 | - | 0.07 | 24 | 18:6 | Fe:Y_sv | ? | h320 | - |
| info | 24 | Ni2Tm | cF192 | 0.0021 | -0.0794 | - | 0.63 | 48 | 32:16 | Fe:Y_sv | ? | h335 | - |
| info | 7 | Ce2Ni7 | hP36 | 0.0040 | -0.0760 | - | 0.11 | 36 | 28:8 | Fe:Y_sv | ? | h320 | - |
| info | 5 | Ca2Cu | oP12 | 0.0103 | -0.0304 | - | 0.14 | 12 | 4:8 | Fe:Y_sv | ? | h320 | - |
| info | 10 | CFe3 | oP16 | 0.0103 | -0.0202 | - | 0.23 | 16 | 4:12 | Fe:Y_sv | UN | h320 | - |
| info | 2 | BCr | oC8 | 0.0166 | -0.0445 | - | 0.22 | 4 | 2:2 | Fe:Y_sv | UN | h320 | - |
| info | 21 | Mn12Th | tI26 | 0.0186 | -0.0099 | - | 0.04 | 13 | 12:1 | Fe:Y_sv | ? | m320 | - |
| info | 16 | *Fe17Y2.ABAC | - | 0.0207 | -0.0183 | - | - | 76 | 68:8 | Fe:Y_sv | ? | h320 | - |
| info | 25 | Th2Zn17 | hR19 | 0.0210 | -0.0180 | - | 0.10 | 19 | 17:2 | Fe:Y_sv | ? | h320 | - |
| info | 23 | Ni17Th2 | hP38 | 0.0214 | -0.0176 | - | 0.31 | 38 | 34:4 | Fe:Y_sv | ? | h320 | - |
| info | 22 | Mn23Th6 | cF116 | 0.0231 | -0.0518 | - | 0.08 | 29 | 23:6 | Fe:Y_sv | HT | h320 | - |
| info | 4 | BRe3 | oC16 | 0.0280 | -0.0025 | - | 0.15 | 8 | 2:6 | Fe:Y_sv | ? | h320 | - |
| info | 8 | CeMn6Ni5 | tP24 | 0.0426 | 0.0117 | - | 0.22 | 24 | 22:2 | Fe:Y_sv | ? | h320 | - |
| info | 11 | Co2Y3 | oP20 | 0.0514 | 0.0025 | - | 0.15 | 20 | 8:12 | Fe:Y_sv | ? | h320 | - |
| info | 13 | Co5Y8 | mP52 | 0.0530 | 0.0060 | - | 0.29 | 52 | 20:32 | Fe:Y_sv | UN | h320 | - |
| info | - | *Fe-AFMD | - | 0.080123 | 0.0801 | - | - | 4 | 4 | Fe | HT | h335 | - |
| info | 17 | Fe3Th7 | hP20 | 0.0868 | 0.0502 | - | 0.23 | 20 | 6:14 | Fe:Y_sv | ? | h320 | - |
| info | 12 | Co3Ho4 | hP22 | 0.0889 | 0.0333 | - | 0.13 | 22 | 10:12 | Fe:Y_sv | UN | h320 | - |
| info | - | W | cI2 | 0.129172 | 0.1292 | - | - | 2 | 2 | Y_sv | HT | h320 | - |
| info | 1 | Al2Cu | tI12 | 0.1295 | 0.0888 | - | 0.08 | 6 | 2:4 | Fe:Y_sv | ? | h320 | - |
| info | 20 | MgNi2 | hP24 | 0.1714 | 0.0899 | - | 0.03 | 24 | 16:8 | Fe:Y_sv | ? | m320 | - |
 |