Mn2AlFe (Pmm2) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -30.9734 eV; energy change = -0.0075 eV; symmetry: Pmm2 → Pmm2
Mn2AlFe (Pmm2)
.cif fileMn2FeAl (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2) (missed expected composition: Mn2FeAl)
3moMn2AlFe phase diagram
.html filePhase diagram of Mn2AlFe; e_above_hull: 0.022079 eV/atom; predicted_stable: True
3mo
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