Fe3CN phase diagram 2
Phase diagram of Fe3CN; e_above_hull: 0.959220 eV/atom; predicted_stable: False
GEPA-iteration-21-v02.cif - relaxed
.cif fileCell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -38.4284 eV; energy change = -0.4371 eV; symmetry: Pm-3m → Pm-3m
1mo
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