“…So it has received much attention as a promising material for several applications, e.g., high density magnetic recording material, hard and wear-resistant materials [4][5][6]. ␥ -Fe 4 N belongs to the antiperovskite crystal structure, where the iron atoms occupy the two nonequivalent sites, namely, the corner (c) sites and face-centered (f) sites, while the nitrogen atoms sit at the body-centered (b) positions.…”