|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
| info | - | Cu | cF4 | STABLE | 0.0000 | - | - | 4 | 4 | Al | LT | m240 | - |
| info | - | Mg | hP2 | STABLE | 0.0000 | - | - | 2 | 2 | Mg | LT | m210 | - |
| info | - | Mg | hP2 | 0.03168 | 0.0317 | - | - | 2 | 2 | Al | ? | m240 | - |
| info | - | W | cI2 | 0.09508 | 0.0951 | - | - | 2 | 2 | Al | ? | m240 | - |
| info | - | Al3Mg2-LT | hR879 | ? | -0.0314 | 0.00 | 0.07 | 293 | 179:114 | Al:Mg | ? | m240 | v3 |
| info | - | Co5Cr2Mo3 | hR53 | ? | -0.0328 | - | 0.01 | 53 | 30:23 | Al:Mg | ? | m240 | - |
| info | - | Al3Mg2-LT | hR879 | ? | -0.0311 | 0.00 | 0.07 | 293 | 181:112 | Al:Mg | ? | m240 | v1 |
| info | - | Al3Mg2-LT | hR879 | ? | -0.0307 | 0.00 | 0.09 | 293 | 182:111 | Al:Mg | ? | m240 | v2 |
| info | - | Ag7Mg26 | cF264 | ? | 0.0070 | - | 0.07 | 66 | 14:52 | Al:Mg | ? | m240 | - |
| info | - | Al6Mg4 | cI160 | ? | -0.0272 | - | 0.07 | 80 | 48:32 | Al:Mg | ? | m240 | - |
| info | - | Ga2Hf | tI24 | ? | -0.0021 | - | 0.18 | 12 | 8:4 | Al:Mg | MS | m240 | - |
| info | - | Mg4Zn7 | mC110 | ? | -0.0243 | - | 0.77 | 55 | 35:20 | Al:Mg | ? | m240 | - |
| info | - | *d-MgZn | *H2S | ? | -0.0295 | - | - | 56 | 34:22 | Al:Mg | ? | m240 | - |
| info | - | Al3Mg2-LT | hR879 | ? | -0.0314 | 0.05 | 0.06 | 293 | 180:113 | Al:Mg | ? | m240 | v11 |
| info | - | Cd6Yb | cI208 | ? | 0.0517 | 0.31 | 0.41 | 168 | 144:24 | Al:Mg | ? | m240 | - |
| info | - | MgZn2 | hP12 | ? | -0.0237 | - | 0.03 | 12 | 8:4 | Al:Mg | ? | m240 | - |
| info | - | AuCu3 | cP4 | ? | -0.0097 | - | - | 4 | 3:1 | Al:Mg | ? | m240 | - |
| info | - | Ag17Mg54 | oI142 | ? | 0.0034 | - | 0.11 | 71 | 17:54 | Al:Mg | ? | m240 | - |
| info | - | Al3Mg2-LT | hR879 | ? | -0.0316 | 0.05 | 0.05 | 293 | 179:114 | Al:Mg | ? | m240 | - |
| info | - | Al3Mg2-LT | hR879 | ? | -0.0318 | 0.00 | 0.05 | 293 | 178:115 | Al:Mg | ? | m240 | v4 |
| info | - | Mn | cI58 | ? | -0.0383 | 0.00 | 0.08 | 29 | 12:17 | Al:Mg | LT | m240 | - |
 |