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Jun 29

ZnCr8Cu3S16 phase diagram

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ZnCr8Cu3S16 phase diagram · Files on Ouro

Jun 29

ZnCr8Cu3S16 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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template-ZnCr8Cu3S16 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -175.1201 eV; energy change = -3.3676 eV; symmetry: R3m → R3m

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ARR license

Phase diagram of ZnCr8Cu3S16 with Orb v3 conservative inf MPA; e_above_hull: 0.002536 eV/atom; predicted_stable: True

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Size: 4.66 MB
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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-ZnCr8Cu3S16 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -175.1201 eV; energy change = -3.3676 eV; symmetry: R3m → R3m