GEPA-iteration-22-v01.cif - relaxed
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -265.3222 eV; energy change = -47.5424 eV; symmetry: P4 → P1
- GEPA-iteration-22-v01.cif.cif file- Crystal structure generated by GEPA optimization (iteration 22) 1mo
- MnFe5N2 phase diagram.html file- Phase diagram of MnFe5N2; e_above_hull: 0.329341 eV/atom; predicted_stable: False 1mo
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