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Jun 28

Mn3SnO8 phase diagram

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Jun 28

Mn3SnO8 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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template-Mn3SnO8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -164.8771 eV; energy change = -0.0003 eV; symmetry: P63mc → P63mc

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Phase diagram of Mn3SnO8 with Orb v3 conservative inf MPA; e_above_hull: 0.038131 eV/atom; predicted_stable: False

Mn3SnO8 phase diagram · Files on Ouro

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Inputs

template-Mn3SnO8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -164.8771 eV; energy change = -0.0003 eV; symmetry: P63mc → P63mc

Created by route

Calculate energy above the convex hull