MnFeBCN phase diagram 1
Phase diagram of MnFeBCN; e_above_hull: 1.023507 eV/atom; predicted_stable: False
- GEPA-iteration-17-v02.cif - relaxed.cif file- Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -471.5771 eV; energy change = -212.6642 eV; symmetry: P23 → P1 1mo
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