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Jun 28

Mn2ZnO4 phase diagram

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Jun 28

Mn2ZnO4 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

Attribution

Connections

1

Inputs

template-Mn2ZnO4 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -93.9220 eV; energy change = -0.0022 eV; symmetry: I41/a → I41/a

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ARR license

Phase diagram of Mn2ZnO4 with Orb v3 conservative inf MPA; e_above_hull: 0.009167 eV/atom; predicted_stable: True

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Size: 4.65 MB
Type: .html file
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Mn2ZnO4 phase diagram · Files on Ouro

Created by route

Calculate energy above the convex hull

No compatible actions yet

Connections

1

Inputs

template-Mn2ZnO4 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -93.9220 eV; energy change = -0.0022 eV; symmetry: I41/a → I41/a