Fe3CN phase diagram
Phase diagram of Fe3CN; e_above_hull: 5.575475 eV/atom; predicted_stable: False
- GEPA-iteration-19-v02.cif - relaxed.cif file- Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -15.3479 eV; energy change = 0.6048 eV; symmetry: Pm-3m → Pm-3m 1mo
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