gen_3 Mn-Fe-Bi-N - relaxed - phonon dispersion
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.68 THz
gen_3 Mn-Fe-Bi-N - relaxed
.cif fileCell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -37.1929 eV; energy change = -0.0931 eV; symmetry: P4/mmm → P4/mmm
2mo
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