Ca3(NiO3)2 phase diagram

Name: Ca3(NiO3)2 phase diagram
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 Ca3(NiO3)2 with Orb v3 conservative inf MPA; e_above_hull: 0.203596 eV/atom; predicted_stable: False

1 input asset

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -125.4459 eV; energy change = -0.5687 eV; symmetry: R-3c → R-3c
5h
.cif