|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
| info | 12 | Cu2Mg | cF24 | STABLE | -0.4614 | - | - | 6 | 4:2 | Al:Ce | LT | a300 | - |
| info | - | In | tI2 | STABLE | -0.0000 | - | - | 1 | 1 | Ce | HP | a300 | - |
| info | - | Cu | cF4 | STABLE | 0.0000 | - | - | 1 | 1 | Al | LT | a300 | - |
| info | 20 | Ni3Sn | hP8 | STABLE | -0.4235 | - | 0.06 | 8 | 6:2 | Al:Ce | LT | a300 | - |
| info | - | Cu | cF4 | 0.002524 | 0.0025 | - | - | 1 | 1 | Ce | LT | a300 | - |
| info | 1 | Al11La3 | oI28 | 0.0044 | -0.3586 | - | 0.23 | 14 | 11:3 | Al:Ce | LT | a300 | - |
| info | 4 | AlCe3 | mP16 | 0.0099 | -0.1631 | - | 0.45 | 16 | 4:12 | Al:Ce | LT | a300 | - |
| info | 5 | AlCe | oC16 | 0.0104 | -0.3356 | - | 0.28 | 8 | 4:4 | Al:Ce | LT | a300 | - |
| info | 19 | Ni3Sn | hP8 | 0.0113 | -0.1617 | - | 0.08 | 8 | 2:6 | Al:Ce | HT | a300 | - |
| info | 10 | Co2Si | oP12 | 0.0125 | -0.2182 | - | 0.54 | 12 | 4:8 | Al:Ce | ? | a300 | - |
| info | 6 | AlDy | oP16 | 0.0170 | -0.3290 | - | 0.23 | 16 | 8:8 | Al:Ce | ? | a300 | - |
| info | 7 | AuCu3 | cP4 | 0.0193 | -0.1537 | - | - | 4 | 1:3 | Al:Ce | HT | a300 | - |
| info | - | Mg | hP2 | 0.023866 | 0.0239 | - | - | 2 | 2 | Al | ? | a300 | - |
| info | 8 | BaPb3 | hR12 | 0.0256 | -0.3979 | - | 0.05 | 12 | 9:3 | Al:Ce | ? | a300 | - |
| info | - | U | oC4 | 0.036934 | 0.0369 | - | 0.01 | 2 | 2 | Ce | HP | a300 | - |
| info | 2 | Al4Ba | tI10 | 0.0372 | -0.3016 | - | 0.15 | 5 | 4:1 | Al:Ce | HT | a300 | - |
| info | - | La | hP4 | 0.048951 | 0.0490 | - | - | 4 | 4 | Ce | HT | a300 | - |
| info | 3 | Al4Ba | tI10 | 0.0700 | -0.3064 | 0.55 | 0.35 | 9 | 7:2 | Al:Ce | HT | a300 | Al@4e |
| info | - | W | cI2 | 0.086424 | 0.0864 | - | - | 1 | 1 | Al | ? | a300 | - |
| info | - | Mg | hP2 | 0.090279 | 0.0903 | - | - | 2 | 2 | Ce | HP | a300 | - |
| info | 9 | ClCs | cP2 | 0.1128 | -0.2332 | - | - | 2 | 1:1 | Al:Ce | MS | a300 | - |
| info | - | W | cI2 | 0.235298 | 0.2353 | - | - | 1 | 1 | Ce | HT | a300 | - |
| info | 11 | Cu2Mg | cF24 | 0.4817 | 0.2510 | - | - | 6 | 2:4 | Al:Ce | ? | m300 | - |
 |