AlFe2NiN (P4/mmm) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -35.9334 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
AlFe2NiN (P4/mmm)
.cif fileFe2NiAlN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe2NiAlN)
3moAlFe2NiN phase diagram
.html filePhase diagram of AlFe2NiN; e_above_hull: 0.347237 eV/atom; predicted_stable: False
3mo
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