GaFe2Co (Pmm2) - relaxed

Name: GaFe2Co (Pmm2) - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.2867 eV; energy change = -0.0112 eV; symmetry: Pmm2 → Pmm2

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843.00 B

.cif file

1 input asset

GaFe2Co (Pmm2)
.cif file
GaFe2Co (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
3mo

2 derivative assets

GaFe2Co (Pmm2) - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.06 THz
3mo
GaFe2Co phase diagram 1
.html file
Phase diagram of GaFe2Co; e_above_hull: 0.114171 eV/atom; predicted_stable: False
3mo

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