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MgCr3GaFeO8 phase diagram 1 · Files on Ouro

Jun 29

MgCr3GaFeO8 phase diagram 1

Overview

Attribution

Phase diagram of MgCr3GaFeO8 with Orb v3 conservative inf MPA; e_above_hull: 0.024415 eV/atom; predicted_stable: True

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Type: .html file
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Created by route

Calculate energy above the convex hull

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1

Inputs

template-MgCr3GaFeO8 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -100.9722 eV; energy change = -0.3365 eV; symmetry: R3m → R3m