fig# | type | psymbol | dE[eV/at] | dH[eV/at] | drb | dri | nat | nn_spec | ch_spec | stab | encut | ext | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
info | 5 | MgZn2 | hP12 | STABLE | -0.0121 | - | 0.03 | 12 | 8:4 | Fe:Mo | LT | m400 | - |
info | 3 | Fe7W6 | hR13 | STABLE | -0.0162 | - | 0.09 | 13 | 7:6 | Fe:Mo | LT | m400 | - |
info | - | W | cI2 | STABLE | -0.0000 | - | - | 2 | 2 | Mo | LT | m400 | - |
info | - | W | cI2 | STABLE | 0.0000 | - | - | 2 | 2 | Fe | LT | h400 | - |
info | 1 | Co5Cr2Mo3 | hR53 | 0.0438 | 0.0297 | - | 0.08 | 53 | 32:21 | Fe:Mo | HT | m400 | - |
info | 2 | CrFe | tP30 | 0.0716 | 0.0565 | 0.07 | 0.09 | 30 | 15:15 | Fe:Mo | HT | m400 | - |
info | - | *Fe-AFMD | - | 0.078373 | 0.0784 | - | - | 4 | 4 | Fe | HT | h400 | - |