Table 3.
Formation enthalpies for ZrMgN2 crystallized in five different structures
ZrMgN2 | ||
---|---|---|
ICSD id | Formation enthalpy (eV/atom) | Nitride example |
82537 | − 1.307 | SrZrN2 (NaCrS2) |
98663 | − 1.311 | LiUN2 |
74904 | − 0.897 | BaZrN2 (BaNiS2) |
15144 | − 1.230 | ZnGeN2 (NaFeO2-beta) |
74791 | − 1.223 | BaCeN2, inverse-MAX |