|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
| info | 1 | Ag51Gd14 | hP68 | STABLE | -0.3411 | 0.11 | 0.10 | 65 | 14:51 | Ca_pv:Cd | LT | m274 | - |
| info | - | Mg | hP2 | STABLE | -0.0000 | - | - | 2 | 2 | Cd | LT | m274 | - |
| info | 23 | MCd6 | cI184 | STABLE | -0.2532 | 0.22 | 0.06 | 168 | 24:144 | Ca_pv:Cd | LT | m274 | - |
| info | - | Cu | cF4 | STABLE | 0.0000 | - | - | 1 | 1 | Ca_pv | LT | m270 | - |
| info | 27 | MgZn2 | hP12 | STABLE | -0.4097 | - | 0.02 | 12 | 4:8 | Ca_pv:Cd | LT | m274 | - |
| info | 16 | ClCs | cP2 | STABLE | -0.4128 | - | - | 2 | 1:1 | Ca_pv:Cd | LT | m274 | - |
| info | 2 | Al2Gd3 | tP20 | STABLE | -0.3402 | - | 0.25 | 20 | 12:8 | Ca_pv:Cd | LT | m274 | - |
| info | 6 | BaHg11 | cP36 | STABLE | -0.1688 | - | 0.11 | 36 | 3:33 | Ca_pv:Cd | ? | m274 | - |
| info | 3 | Al5CuLi3 | cI160 | 0.0009 | -0.4039 | 0.08 | 0.11 | 80 | 26:54 | Ca_pv:Cd | ? | m274 | - |
| info | 19 | *i-CaCd | *BC.hR1 | 0.0033 | -0.2573 | - | - | 94 | 14:80 | Ca_pv:Cd | ? | m274 | - |
| info | 20 | *i-CaCd | *D.v0 | 0.0055 | -0.2670 | - | - | 126 | 20:106 | Ca_pv:Cd | ? | m274 | - |
| info | - | Mg | hP2 | 0.007551 | 0.0076 | - | - | 2 | 2 | Ca_pv | HT | n274 | - |
| info | 13 | Cd45Sm11 | cF448 | 0.0087 | -0.3094 | - | 0.01 | 112 | 22:90 | Ca_pv:Cd | ? | m274 | - |
| info | 4 | Al5CuLi3 | cI162 | 0.0098 | -0.3926 | 0.14 | 0.14 | 81 | 26:55 | Ca_pv:Cd | ? | m274 | - |
| info | 21 | *i-CaCd | *D.v8 | 0.0106 | -0.2811 | - | - | 126 | 22:104 | Ca_pv:Cd | ? | m274 | - |
| info | 15 | CeCu2 | oI12 | 0.0152 | -0.3944 | - | 0.12 | 6 | 2:4 | Ca_pv:Cd | HT | m274 | - |
| info | 5 | B3Cr5 | tI32 | 0.0182 | -0.3008 | - | 0.11 | 16 | 10:6 | Ca_pv:Cd | ? | m274 | - |
| info | 14 | Cd58Gd13 | hP142 | 0.0215 | -0.2805 | - | 0.10 | 142 | 26:116 | Ca_pv:Cd | ? | m274 | - |
| info | 9 | BRe3 | oC16 | 0.0239 | -0.1888 | - | 0.10 | 8 | 6:2 | Ca_pv:Cd | ? | m274 | - |
| info | 8 | BiF3 | cF16 | 0.0312 | -0.3301 | - | - | 4 | 1:3 | Ca_pv:Cd | ? | m274 | - |
| info | 18 | HgNa | oC16 | 0.0449 | -0.3163 | - | 0.07 | 16 | 4:12 | Ca_pv:Cd | ? | m274 | - |
| info | 24 | Mg2Zn11 | cP39 | 0.0593 | -0.2073 | - | 0.20 | 39 | 6:33 | Ca_pv:Cd | ? | m274 | - |
| info | 7 | BCr | oC8 | 0.0613 | -0.3515 | - | 0.10 | 4 | 2:2 | Ca_pv:Cd | ? | m274 | - |
| info | 11 | CaCu5 | hP6 | 0.0659 | -0.2162 | - | - | 6 | 1:5 | Ca_pv:Cd | ? | m274 | - |
| info | 10 | Ca2Cu | oP12 | 0.0812 | -0.2023 | - | 0.21 | 12 | 8:4 | Ca_pv:Cd | ? | m274 | - |
| info | 12 | CaZn3 | hP32 | 0.0992 | -0.2732 | 0.76 | 0.30 | 26 | 7:19 | Ca_pv:Cd | ? | m274 | - |
| info | 22 | MCd6 | cI160 | 0.2292 | -0.0327 | - | 0.14 | 80 | 12:68 | Ca_pv:Cd | ? | m274 | - |
| info | 28 | Mn12Th | tI26 | 0.3292 | 0.1734 | - | 0.10 | 13 | 1:12 | Ca_pv:Cd | ? | m274 | - |
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