Mn2Fe3BiN2 (P1) - relaxed - phonon dispersion
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -2.72 THz
Mn2Fe3BiN2 (P1) - relaxed
.cif fileCell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -63.0155 eV; energy change = -0.0977 eV; symmetry: P4mm → P4mm
2mo
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