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Jun 28

Li2Mn3CrO8 phase diagram

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Li2Mn3CrO8 phase diagram · Files on Ouro

Jun 28

Li2Mn3CrO8 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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template-Li2Mn3CrO8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -97.6674 eV; energy change = -0.0012 eV; symmetry: R-3m → R-3m

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Phase diagram of Li2Mn3CrO8 with Orb v3 conservative inf MPA; e_above_hull: 0.016650 eV/atom; predicted_stable: True

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Size: 4.76 MB
Type: .html file
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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Li2Mn3CrO8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -97.6674 eV; energy change = -0.0012 eV; symmetry: R-3m → R-3m