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Jun 28

Li2Cr3CoO8 phase diagram

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Jun 28

Li2Cr3CoO8 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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1

Inputs

template-Li2Cr3CoO8 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -94.6564 eV; energy change = -0.0035 eV; symmetry: R3m → R3m

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Li2Cr3CoO8 phase diagram · Files on Ouro

Phase diagram of Li2Cr3CoO8 with Orb v3 conservative inf MPA; e_above_hull: 0.084053 eV/atom; predicted_stable: False

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Size: 4.72 MB
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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Li2Cr3CoO8 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -94.6564 eV; energy change = -0.0035 eV; symmetry: R3m → R3m