gen_3 Mn-Fe-Bi-N - relaxed

Name: gen_3 Mn-Fe-Bi-N - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

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.cif file

Cell + 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

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.html file
Phase diagram of MnFe2BiN; e_above_hull: 0.329925 eV/atom; predicted_stable: False
3mo
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.68 THz
3mo