3mo

Mn2GaFe (Pm) - relaxed - doped Li 5.0%

Name: Mn2GaFe (Pm) - relaxed - doped Li 5.0%
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

Interstitially doped with Li at ~5.0%; supercell [2, 2, 2]; dopant atoms = 2

20 views

2.51 KB

.cif file

1 input asset

Mn2GaFe (Pm) - relaxed
.cif file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -29.8719 eV; energy change = 0.0000 eV; symmetry: P4/mmm → P4/mmm
3mo

1 derivative asset

Mn2GaFe (Pm) - relaxed - doped Li 5.0% - relaxation animation
Video file
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -237.9734 eV; energy change = -9.2149 eV; symmetry: P1 → Pm
3mo

Loading compatible actions...

Loading comments...