GEPA-iteration-3-v07.cif - relaxed
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -134.3444 eV; energy change = -64.8379 eV; symmetry: P6/mmm → P1
GEPA-iteration-3-v07.cif
.cif fileCrystal structure generated by GEPA optimization (iteration 3)
1moFe12Ni3C2 phase diagram
.html filePhase diagram of Fe12Ni3C2; e_above_hull: 0.181126 eV/atom; predicted_stable: False
1mo
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1 derivative asset
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