GEPA-iteration-2-v01.cif - relaxed
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -43.5861 eV; energy change = -0.4594 eV; symmetry: P1 → P4/mmm
GEPA-iteration-2-v01.cif
.cif fileCrystal structure generated by GEPA optimization (iteration 2)
1moCrFe3N phase diagram 1
.html filePhase diagram of CrFe3N; e_above_hull: 0.140231 eV/atom; predicted_stable: False
1mo
1 input asset
1 derivative asset
Loading compatible actions...
Loading comments...