TlFeS2 phase diagram 1

Name: TlFeS2 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 TlFeS2 with Orb v3 conservative inf MPA; e_above_hull: 0.198743 eV/atom; predicted_stable: False

1 input asset

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -20.0717 eV; energy change = -0.3494 eV; symmetry: I-4m2 → I-4m2
2h
.cif