|
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 | Y_sv | ? | m270 | - |
| info | 8 | AlGd | oP16 | STABLE | -0.4395 | - | 0.06 | 16 | 8:8 | Al:Y_sv | ? | m270 | - |
| info | 17 | Cu2Mg | cF24 | STABLE | -0.5360 | - | - | 6 | 4:2 | Al:Y_sv | ? | m270 | - |
| info | 15 | Co2Si | oP12 | STABLE | -0.3053 | - | 0.15 | 12 | 4:8 | Al:Y_sv | ? | m270 | - |
| info | - | Cu | cF4 | STABLE | -0.0000 | - | - | 4 | 4 | Al | ? | m270 | - |
| info | 27 | Ni3Sn | hP8 | STABLE | -0.4414 | - | 0.00 | 8 | 6:2 | Al:Y_sv | ? | m270 | - |
| info | 3 | Al2Zr3 | tP20 | 0.0010 | -0.3580 | - | 0.12 | 20 | 8:12 | Al:Y_sv | ? | m270 | - |
| info | 2 | Al2Gd3 | tP20 | 0.0011 | -0.3579 | - | 0.18 | 20 | 8:12 | Al:Y_sv | ? | m270 | - |
| info | 11 | BaPb3 | hR12 | 0.0048 | -0.4366 | - | 0.04 | 12 | 9:3 | Al:Y_sv | ? | m270 | - |
| info | 7 | AlGd | oC16 | 0.0075 | -0.4319 | - | 0.15 | 8 | 4:4 | Al:Y_sv | ? | m270 | - |
| info | - | La | hP4 | 0.00754 | 0.0075 | - | - | 4 | 4 | Y_sv | ? | m270 | - |
| info | 5 | Al4U | oI20 | 0.0097 | -0.3434 | - | 0.16 | 10 | 8:2 | Al:Y_sv | ? | m270 | - |
| info | 10 | AuCu3 | cP4 | 0.0165 | -0.4249 | - | - | 4 | 3:1 | Al:Y_sv | ? | m270 | - |
| info | 12 | BCr | oC8 | 0.0183 | -0.4212 | - | 0.03 | 4 | 2:2 | Al:Y_sv | ? | m270 | - |
| info | 14 | ClCs | cP2 | 0.0208 | -0.4186 | - | - | 2 | 1:1 | Al:Y_sv | ? | m270 | - |
| info | - | Cu | cF4 | 0.025305 | 0.0253 | - | - | 4 | 4 | Y_sv | ? | m270 | - |
| info | 26 | Ni3Sn | hP8 | 0.0291 | -0.2000 | - | 0.02 | 8 | 2:6 | Al:Y_sv | ? | m270 | - |
| info | 6 | AlCe3 | mP16 | 0.0370 | -0.1920 | - | 0.35 | 16 | 4:12 | Al:Y_sv | ? | m270 | - |
| info | 24 | Mn5Si3 | hP16 | 0.0391 | -0.2997 | - | 0.10 | 16 | 6:10 | Al:Y_sv | ? | m270 | - |
| info | 9 | AuCu3 | cP4 | 0.0412 | -0.1878 | - | - | 4 | 1:3 | Al:Y_sv | ? | m270 | - |
| info | 1 | Al11La3 | oI28 | 0.0534 | -0.3250 | - | 0.24 | 14 | 11:3 | Al:Y_sv | ? | m270 | - |
| info | 25 | Ni17Th2 | hP38 | 0.0886 | -0.0972 | - | 0.31 | 38 | 34:4 | Al:Y_sv | ? | m270 | - |
| info | 13 | CaCu5 | hP6 | 0.1113 | -0.1830 | - | - | 6 | 5:1 | Al:Y_sv | ? | m270 | - |
| info | 4 | Al4Ba | tI10 | 0.1129 | -0.2402 | - | 0.18 | 5 | 4:1 | Al:Y_sv | ? | m270 | - |
| info | - | W | cI2 | 0.124023 | 0.1240 | - | - | 2 | 2 | Y_sv | ? | m270 | - |
| info | - | Cu2Mg | cF24 | 0.161224 | 0.1612 | - | - | 6 | 6 | Al | ? | m270 | - |
| info | - | Cu2Mg | cF24 | 0.252865 | 0.2529 | - | - | 6 | 6 | Y_sv | ? | m270 | - |
| info | 16 | Cu2Mg | cF24 | 0.7007 | 0.3953 | - | - | 6 | 2:4 | Al:Y_sv | ? | m270 | - |
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