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Jun 28

Li7Mn2N3 phase diagram

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Jun 28

Li7Mn2N3 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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1

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template-Li7Mn2N3 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -60.0833 eV; energy change = -0.0248 eV; symmetry: P6/mmm → P6/mmm

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Phase diagram of Li7Mn2N3 with Orb v3 conservative inf MPA; e_above_hull: 0.123668 eV/atom; predicted_stable: False

Li7Mn2N3 phase diagram · Files on Ouro

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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Li7Mn2N3 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -60.0833 eV; energy change = -0.0248 eV; symmetry: P6/mmm → P6/mmm