3mo

FeCoPt (P3m1) 1 - relaxed

Name: FeCoPt (P3m1) 1 - relaxed
Creator: will
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -21.8449 eV; energy change = -0.0961 eV; symmetry: P3m1 → P-6m2

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.cif file

1 input asset

FeCoPt (P3m1) 1
.cif file
FeCoPt (space group: P3m1 #156, crystal system: trigonal, point group: 3m)
3mo

2 derivative assets

FeCoPt (P3m1) 1 - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -0.84 THz
3mo
FeCoPt phase diagram 1
.html file
Phase diagram of FeCoPt; e_above_hull: 0.075444 eV/atom; predicted_stable: False
3mo

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