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