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The equations of state for cubic anti-perovskite (APV) and hypothetic anti post-perovskite (APPV) forms of Fe 4 N obtained within DFT for the spin polarized and non-magnetic configurations, confirm the ferromagnetic ground state of APV-Fe 4 N and a non-magnetic one for APPV. The lower equilibrium volume for the latter favors pressure-enabled transition: APV→APPV. Chemical bonding analysis...
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