|
fig# |
type |
psymbol |
dE[eV/at] |
dH[eV/at] |
drb |
dri |
nat |
nn_spec |
ch_spec |
stab |
encut |
ext |
info | 7 | BaHg11 | cP36 | STABLE | -0.1368 | - | 0.12 | 36 | 3:33 | Ca:Cd | ? | m274 | - |
info | - | Mg | hP2 | STABLE | 0.0000 | - | - | 2 | 2 | Cd | LT | m274 | - |
info | 1 | Ag51Gd14 | hP68 | STABLE | -0.2992 | 0.11 | 0.09 | 65 | 14:51 | Ca:Cd | LT | m274 | - |
info | 2 | Al2Gd3 | tP20 | STABLE | -0.3232 | - | 0.23 | 20 | 12:8 | Ca:Cd | LT | m274 | - |
info | - | Cu | cF4 | STABLE | -0.0000 | - | - | 4 | 4 | Ca | LT | h274 | - |
info | 18 | CeCu2 | oI12 | STABLE | -0.3738 | - | 0.12 | 12 | 4:8 | Ca:Cd | HT | m274 | - |
info | 38 | MCd6 | cI176 | STABLE | -0.2259 | 0.22 | 0.11 | 84 | 12:72 | Ca:Cd | LT | m274 | - |
info | 19 | ClCs | cP2 | STABLE | -0.3917 | - | - | 2 | 1:1 | Ca:Cd | LT | m274 | - |
info | 10 | BRe3 | oC16 | 0.0007 | -0.2013 | - | 0.11 | 8 | 6:2 | Ca:Cd | ? | m274 | - |
info | - | Cu | cF4 | 0.000984 | 0.0010 | - | - | 4 | 4 | Cd | ? | m274 | - |
info | 11 | Ca13Cd76 | cP792 | 0.0010 | -0.2282 | 0.44 | 0.46 | 712 | 104:608 | Ca:Cd | ? | m274 | imd |
info | 29 | *i-CaCd | *BC | 0.0019 | -0.2172 | - | - | 94 | 13:81 | Ca:Cd | ? | m274 | v3 |
info | 6 | B3Cr5 | tI32 | 0.0020 | -0.3010 | - | 0.12 | 16 | 10:6 | Ca:Cd | ? | m274 | - |
info | 30 | *i-CaCd | *BC | 0.0022 | -0.2299 | - | - | 94 | 14:80 | Ca:Cd | ? | m274 | v0 |
info | - | Mg | hP2 | 0.002247 | 0.0022 | - | - | 2 | 2 | Ca | HT | h274 | - |
info | 31 | *i-CaCd | *BC | 0.0033 | -0.2288 | - | - | 94 | 14:80 | Ca:Cd | ? | m274 | v6 |
info | 27 | *i-CaCd | *alt2 | 0.0045 | -0.2247 | - | - | 178 | 26:152 | Ca:Cd | ? | m274 | alt2 |
info | 28 | *i-CaCd | *alt | 0.0046 | -0.2246 | - | - | 178 | 26:152 | Ca:Cd | ? | m274 | alt |
info | 26 | *i-CaCd | *ABC.mP4 | 0.0047 | -0.2245 | - | - | 356 | 52:304 | Ca:Cd | ? | m274 | - |
info | 25 | *i-CaCd | *ABC.mP2 | 0.0048 | -0.2244 | - | - | 178 | 26:152 | Ca:Cd | ? | m274 | - |
info | 34 | *i-CaCd | *imd | 0.0049 | -0.2243 | - | - | 178 | 26:152 | Ca:Cd | ? | m274 | - |
info | 24 | *i-CaCd | *ABCD.mP4 | 0.0051 | -0.2288 | - | - | 398 | 60:338 | Ca:Cd | ? | m274 | imd |
info | 32 | *i-CaCd | *D.v0 | 0.0059 | -0.2360 | - | - | 126 | 20:106 | Ca:Cd | ? | m274 | v0 |
info | 23 | *i-CaCd | *ABCD.mP4 | 0.0102 | -0.2237 | - | - | 398 | 60:338 | Ca:Cd | ? | m274 | - |
info | 33 | *i-CaCd | *D.v8 | 0.0105 | -0.2475 | - | - | 126 | 22:104 | Ca:Cd | ? | m274 | - |
info | 35 | *i-CaCd | *OR | 0.0105 | -0.2220 | - | - | 288 | 43:245 | Ca:Cd | ? | m274 | v0 |
info | 42 | MgZn2 | hP12 | 0.0116 | -0.3622 | - | 0.02 | 12 | 4:8 | Ca:Cd | LT | m274 | - |
info | 17 | Cd58Gd13 | hP142 | 0.0150 | -0.2515 | - | 0.10 | 142 | 26:116 | Ca:Cd | ? | m274 | - |
info | 39 | Mg2Zn11 | cP39 | 0.0164 | -0.2207 | - | 0.20 | 39 | 6:33 | Ca:Cd | ? | m274 | - |
info | 37 | MCd6 | cI176 | 0.0185 | -0.2146 | - | 0.11 | 80 | 12:68 | Ca:Cd | ? | m274 | - |
info | 4 | Al5CuLi3 | cI162 | 0.0236 | -0.3423 | 0.23 | 0.18 | 81 | 26:55 | Ca:Cd | ? | m274 | - |
info | 5 | AlB2 | hP3 | 0.0270 | -0.3467 | - | - | 3 | 1:2 | Ca:Cd | ? | m274 | - |
info | 15 | Cd2Ce | hP3 | 0.0275 | -0.3462 | - | 0.08 | 3 | 1:2 | Ca:Cd | ? | m274 | - |
info | 43 | Mn12Th | tI26 | 0.0300 | -0.0963 | - | 0.06 | 13 | 1:12 | Ca:Cd | ? | m274 | - |
info | 14 | CaZn3 | hP32 | 0.0330 | -0.3002 | 0.19 | 0.12 | 26 | 7:19 | Ca:Cd | ? | m274 | - |
info | 16 | Cd45Sm11 | cF448 | 0.0357 | -0.2444 | - | 0.04 | 112 | 22:90 | Ca:Cd | ? | m274 | - |
info | 9 | BiF3 | cF16 | 0.0411 | -0.2799 | - | - | 4 | 1:3 | Ca:Cd | ? | m274 | - |
info | 8 | BCr | oC8 | 0.0446 | -0.3471 | - | 0.11 | 4 | 2:2 | Ca:Cd | ? | m274 | - |
info | 36 | MCd6 | cI160 | 0.0485 | -0.1847 | - | 0.17 | 80 | 12:68 | Ca:Cd | ? | m274 | - |
info | 22 | HgNa | oC16 | 0.0495 | -0.2715 | - | 0.06 | 8 | 2:6 | Ca:Cd | ? | m274 | - |
info | 3 | Al5CuLi3 | cI160 | 0.0535 | -0.3150 | 0.08 | 0.11 | 80 | 26:54 | Ca:Cd | ? | m274 | - |
info | 13 | CaCu5 | hP6 | 0.0650 | -0.1850 | - | - | 6 | 1:5 | Ca:Cd | ? | m274 | - |
info | 12 | Ca2Cu | oP12 | 0.0665 | -0.2029 | - | 0.23 | 12 | 8:4 | Ca:Cd | ? | m274 | - |
|