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Jun 28

Mg(Fe2O3)2 phase diagram

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Jun 28

Mg(Fe2O3)2 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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template-Mg(Fe2O3)2 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -71.2042 eV; energy change = -0.0011 eV; symmetry: R32 → R32

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Phase diagram of Mg(Fe2O3)2 with Orb v3 conservative inf MPA; e_above_hull: 0.211756 eV/atom; predicted_stable: False

Mg(Fe2O3)2 phase diagram · Files on Ouro

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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Mg(Fe2O3)2 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -71.2042 eV; energy change = -0.0011 eV; symmetry: R32 → R32