Fe4N - relaxed

Name: Fe4N - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -41.9630 eV; energy change = -0.0786 eV; symmetry: P4/mmm → P4/mmm

23 views

1.12 KB

.cif file

1 input asset

Fe4N
.cif file
(Space group: P4/mmm #123, Crystal system: tetragonal, Point group: 4/mmm)
4mo

3 derivative assets

Fe4N - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å)
4mo
Fe4N - relaxed - 3x3x3 supercell
.cif file
Supercell 3x3x3 of Fe4N (Space group: P4/mmm, 432 symmetry operations)
4mo
Fe4N phase diagram
.html file
Phase diagram of Fe4N; e_above_hull: 0.095540 eV/atom; predicted_stable: False
4mo

Loading compatible actions...

Loading comments...