Fe5BiB (P4/mmm) - relaxed

Name: Fe5BiB (P4/mmm) - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -49.7946 eV; energy change = -0.0079 eV; symmetry: P4/mmm → P4/mmm

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.cif file

1 input asset

Fe5BiB (P4/mmm)
.cif file
Fe5BiB (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
3mo

2 derivative assets

Fe5BiB (P4/mmm) - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -3.80 THz
3mo
Fe5BiB phase diagram
.html file
Phase diagram of Fe5BiB; e_above_hull: 0.560238 eV/atom; predicted_stable: False
3mo

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