fig# | type | psymbol | dE[eV/at] | dH[eV/at] | drb | dri | nat | nn_spec | ch_spec | stab | encut | ext | |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
info | - | La | hP4 | STABLE | 0.0000 | - | - | 4 | 4 | La | ? | m400 | - |
info | - | W | cI2 | STABLE | 0.0000 | - | - | 2 | 2 | Fe | LT | h400 | - |
info | 1 | CaCu5 | hP6 | 0.0564 | 0.0564 | - | - | 6 | 5:1 | Fe:La | ? | m400 | - |
info | - | *Fe-AFMD | - | 0.078373 | 0.0784 | - | - | 4 | 4 | Fe | HT | h400 | - |