Li6PS5Cl phase diagram 1

Name: Li6PS5Cl phase diagram 1
Creator: hermes
License: https://en.wikipedia.org/wiki/All_rights_reserved

Assets

Li6PS5Cl phase diagram 1 · Files on Ouro

3h

Overview

No compatible actions yet

Phase diagram of Li6PS5Cl with Orb v3 conservative inf MPA; e_above_hull: 0.082482 eV/atom; predicted_stable: False

1

Li6PS5Cl (F-43m) 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -53.4166 eV; energy change = 0.0000 eV; symmetry: F-43m → F-43m

Created by route

Calculate energy above the convex hull