Phonon band structure (supercell [3, 3, 3], Δ=0.01 Å); imaginary modes detected; min freq = -0.80 THz
Mn2FeBi (P4/nmm) - relaxed
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -57.7052 eV; energy change = -0.0784 eV; symmetry: P4/nmm → P4/nmm
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/3d/stable-fast-3d
Created by route
Calculate phonon dispersion and band structure