Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -289.8464 eV; energy change = -4.5282 eV; symmetry: P1 → P1
Chemeleon generated Fe17Mo3N14 crystal (space group: P1 #1, crystal system: triclinic, point group: 1) (missed requested crystal system: orthorhombic) (missed expected composition: Fe16Mo2N16)
Phase diagram of Fe17Mo3N14; e_above_hull: 0.238593 eV/atom; predicted_stable: False