3mo

MnGaFe2 (Pmm2) - relaxed

Name: MnGaFe2 (Pmm2) - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.1189 eV; energy change = -0.0148 eV; symmetry: Pmm2 → Pmm2

23 views

843.00 B

.cif file

1 input asset

MnGaFe2 (Pmm2)
.cif file
MnGaFe2 (space group: Pmm2 #25, crystal system: orthorhombic, point group: mm2)
3mo

2 derivative assets

MnGaFe2 phase diagram
.html file
Phase diagram of MnGaFe2; e_above_hull: 0.091340 eV/atom; predicted_stable: False
3mo
MnGaFe2 (Pmm2) - relaxed - phonon dispersion
Image file
Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.15 THz
3mo

1 reference

Loading compatible actions...

Loading comments...