CdNiS2 phase diagram 1

Name: CdNiS2 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 CdNiS2 with Orb v3 conservative inf MPA; e_above_hull: 0.189477 eV/atom; predicted_stable: False

1 input asset

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -16.2208 eV; energy change = -0.1728 eV; symmetry: R3m → R3m
4h
.cif