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Jun 28

MgMn2Zn2O6 phase diagram

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Jun 28

MgMn2Zn2O6 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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template-MgMn2Zn2O6 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -67.0590 eV; energy change = -0.2322 eV; symmetry: R3 → R3

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Phase diagram of MgMn2Zn2O6 with Orb v3 conservative inf MPA; e_above_hull: 0.093387 eV/atom; predicted_stable: False

MgMn2Zn2O6 phase diagram · Files on Ouro

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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-MgMn2Zn2O6 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -67.0590 eV; energy change = -0.2322 eV; symmetry: R3 → R3