K(FeTe)2 phase diagram

Name: K(FeTe)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 K(FeTe)2 with Orb v3 conservative inf MPA; e_above_hull: 0.111728 eV/atom; predicted_stable: False

1 input asset

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -25.6517 eV; energy change = -0.0006 eV; symmetry: I4/mmm → I4/mmm
3h
.cif