Fe8N (P6_3/mmc) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -125.2035 eV; energy change = -0.2049 eV; symmetry: P6_3/mmc → P6_3/mmc
Fe8N (P6_3/mmc)
.cif fileFe16N2 (space group: P6_3/mmc #194, crystal system: hexagonal, point group: 6/mmm) (missed expected composition: Fe16N2)
3moFe8N phase diagram 2
.html filePhase diagram of Fe8N; e_above_hull: 1.507819 eV/atom; predicted_stable: False
3mo
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