Fe8Bi2N (P-3m1) - relaxed

Name: Fe8Bi2N (P-3m1) - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -76.7223 eV; energy change = -7.8651 eV; symmetry: P-3m1 → P-3m1

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.cif file

1 input asset

Fe8Bi2N (P-3m1)
.cif file
Fe8Bi2N (space group: P-3m1 #164, crystal system: trigonal, point group: -3m)
3mo

2 derivative assets

Fe8Bi2N (P-3m1) - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -7.64 THz
3mo
Fe8Bi2N phase diagram
.html file
Phase diagram of Fe8Bi2N; e_above_hull: 0.656510 eV/atom; predicted_stable: False
3mo

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