fig# | type | psymbol | dE[eV/at] | dH[eV/at] | drb | dri | nat | nn_spec | ch_spec | stab | encut | ext | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
info | 2 | CaCu5 | hP6 | STABLE | -0.0625 | - | - | 6 | 5:1 | Fe:Y_sv | MS | m400 | - |
info | - | Mg | hP2 | STABLE | -0.0000 | - | - | 2 | 2 | Y_sv | LT | m400 | - |
info | 3 | Cu2Mg | cF24 | STABLE | -0.0810 | - | - | 6 | 4:2 | Fe:Y_sv | LT | m400 | - |
info | - | W | cI2 | STABLE | 0.0000 | - | - | 2 | 2 | Fe | LT | h400 | - |
info | 1 | Be3Nb | hR12 | STABLE | -0.0859 | - | 0.05 | 12 | 9:3 | Fe:Y_sv | LT | m400 | - |
info | 6 | Mn23Th6 | cF116 | 0.0200 | -0.0538 | - | 0.08 | 29 | 23:6 | Fe:Y_sv | HT | m400 | - |
info | 7 | Th2Zn17 | hR19 | 0.0206 | -0.0189 | - | 0.07 | 19 | 17:2 | Fe:Y_sv | LT | m400 | - |
info | - | *Fe-AFMD | - | 0.078373 | 0.0784 | - | - | 4 | 4 | Fe | HT | h400 | - |
info | - | W | cI2 | 0.129212 | 0.1292 | - | - | 2 | 2 | Y_sv | HT | m400 | - |