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Jun 29

Sr2CoSO3 phase diagram

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Jun 29

Sr2CoSO3 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

Attribution

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1

Inputs

template-Sr2CoSO3 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -79.4565 eV; energy change = -0.1801 eV; symmetry: P4/nmm → P4/nmm

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ARR license

Phase diagram of Sr2CoSO3 with Orb v3 conservative inf MPA; e_above_hull: 0.569649 eV/atom; predicted_stable: False

Sr2CoSO3 phase diagram · Files on Ouro

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Size: 4.67 MB
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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Sr2CoSO3 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -79.4565 eV; energy change = -0.1801 eV; symmetry: P4/nmm → P4/nmm