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CaMn3Zn3RuO12 phase diagram · Files on Ouro

Jun 29

CaMn3Zn3RuO12 phase diagram

Overview

Attribution

Phase diagram of CaMn3Zn3RuO12 with Orb v3 conservative inf MPA; e_above_hull: 0.086035 eV/atom; predicted_stable: False

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Calculate energy above the convex hull

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Inputs

template-CaMn3Zn3RuO12 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -125.8526 eV; energy change = -0.9543 eV; symmetry: R-3 → R-3