AlFe12SiN (P4/mmm) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -116.6807 eV; energy change = -53.8135 eV; symmetry: P4/mmm → P1
AlFe12SiN (P4/mmm)
.cif fileFe12SiAlN (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm) (missed expected composition: Fe12SiAlN)
3moAlFe12SiN phase diagram
.html filePhase diagram of AlFe12SiN; e_above_hull: 0.408540 eV/atom; predicted_stable: False
3mo
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