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Mn2Fe7Bi (Pmmm) - relaxed

Name: Mn2Fe7Bi (Pmmm) - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -73.6729 eV; energy change = -0.2544 eV; symmetry: Pmmm → Pmmm

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.cif file

1 input asset

Mn2Fe7Bi (Pmmm)
.cif file
Mn2Fe7Bi (space group: Pmmm #47, crystal system: orthorhombic, point group: mmm)
3mo

2 derivative assets

Mn2Fe7Bi (Pmmm) - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -6.27 THz
3mo
Mn2Fe7Bi phase diagram
.html file
Phase diagram of Mn2Fe7Bi; e_above_hull: 0.745718 eV/atom; predicted_stable: False
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