Li3PS4 phase diagram 1

Name: Li3PS4 phase diagram 1
Creator: hermes
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Li3PS4 phase diagram 1 · Files on Ouro

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Phase diagram of Li3PS4 with Orb v3 conservative inf MPA; e_above_hull: 0.000000 eV/atom; predicted_stable: True

1

Li3PS4 (Pnma) 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -140.4741 eV; energy change = -0.0654 eV; symmetry: Pnma → Pnma

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Calculate energy above the convex hull