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Jun 28

Cr3SnS8 phase diagram

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Jun 28

Cr3SnS8 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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1

Inputs

template-Cr3SnS8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -71.3758 eV; energy change = -0.0966 eV; symmetry: R-3m → R3m

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Phase diagram of Cr3SnS8 with Orb v3 conservative inf MPA; e_above_hull: 0.073948 eV/atom; predicted_stable: False

Cr3SnS8 phase diagram · Files on Ouro

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Size: 4.64 MB
Type: .html file
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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Cr3SnS8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -71.3758 eV; energy change = -0.0966 eV; symmetry: R-3m → R3m