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Jun 29

Mg3VCr8O16 phase diagram

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Mg3VCr8O16 phase diagram · Files on Ouro

Jun 29

Mg3VCr8O16 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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template-Mg3VCr8O16 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -212.3866 eV; energy change = -0.1441 eV; symmetry: R3m → R3m

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ARR license

Phase diagram of Mg3VCr8O16 with Orb v3 conservative inf MPA; e_above_hull: 0.041195 eV/atom; predicted_stable: False

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Size: 4.7 MB
Type: .html file
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No compatible actions yet

Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Mg3VCr8O16 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -212.3866 eV; energy change = -0.1441 eV; symmetry: R3m → R3m