Mn2PS5 phase diagram 1

Name: Mn2PS5 phase diagram 1
Creator: will
License: https://en.wikipedia.org/wiki/All_rights_reserved

4.64 MB

.html file

No compatible actions yet

Join to comment

Phase diagram of Mn2PS5 with Orb v3 conservative inf MPA; e_above_hull: 0.213093 eV/atom; predicted_stable: False

1 input asset

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -92.5823 eV; energy change = -49.6932 eV; symmetry: I41/amd → I41/amd
4h
.cif