gen_0 MnFeBi 1 - relaxed

Name: gen_0 MnFeBi 1 - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -77.3587 eV; energy change = -0.0226 eV; symmetry: P4/nmm → P4/nmm

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.cif file

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gen_0 MnFeBi 1 - relaxed - 3x3x3 supercell
.cif file
Supercell 3x3x3 of Mn3FeBi (Space group: P4/nmm, 432 symmetry operations)
3mo
Mn3FeBi phase diagram
.html file
Phase diagram of Mn3FeBi; e_above_hull: 0.192768 eV/atom; predicted_stable: False
3mo
gen_0 MnFeBi 1 - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.00 THz
3mo

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