MnFe8Bi (P4/mmm) - relaxed
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -75.3464 eV; energy change = -1.7055 eV; symmetry: P4/mmm → P4/mmm
MnFe8Bi (P4/mmm)
.cif fileMnFe8Bi (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
3moMnFe8Bi phase diagram
.html filePhase diagram of MnFe8Bi; e_above_hull: 0.511051 eV/atom; predicted_stable: False
3moMnFe8Bi (P4/mmm) - relaxed - phonon dispersion
Image filePhonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -5.25 THz
3mo
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