Mn2GaFe (Pm) - relaxed

Name: Mn2GaFe (Pm) - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.8719 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm

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.cif file

1 input asset

Mn2GaFe (Pm)
.cif file
MatterGen generated Mn2GaFe crystal (space group: Pm #6, crystal system: monoclinic)
3mo

4 derivative assets

Mn2GaFe (Pm) - relaxed - doped Li 5.0%
.cif file
Interstitially doped with Li at ~5.0%; supercell [2, 2, 2]; dopant atoms = 2
3mo
Mn2GaFe (Pm) - relaxed - doped B 5.0%
.cif file
Interstitially doped with B at ~5.0%; supercell [2, 2, 2]; dopant atoms = 2
3mo
Mn2GaFe phase diagram
.html file
Phase diagram of Mn2GaFe; e_above_hull: 0.049479 eV/atom; predicted_stable: False
3mo
Mn2GaFe (Pm) - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.07 THz
3mo

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