3mo

GaFe3 (P-6m2) - relaxed

Name: GaFe3 (P-6m2) - relaxed
Creator: will
License: https://en.wikipedia.org/wiki/All_rights_reserved

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -27.8844 eV; energy change = -0.0108 eV; symmetry: P-6m2 → P-6m2

13 views

951.00 B

.cif file

1 input asset

.cif file
Fe3Ga (space group: P-6m2 #187, crystal system: hexagonal, point group: -6m2) (missed expected composition: Fe3Ga)
3mo

1 derivative asset

.html file
Phase diagram of GaFe3; e_above_hull: 0.253363 eV/atom; predicted_stable: False
3mo

Loading compatible actions...

Loading comments...