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Jun 29

ZnCo8Cu3Se16 phase diagram

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Jun 29

ZnCo8Cu3Se16 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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1

Inputs

template-ZnCo8Cu3Se16 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -135.2493 eV; energy change = -3.0247 eV; symmetry: R3m → R3m

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ZnCo8Cu3Se16 phase diagram · Files on Ouro

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Phase diagram of ZnCo8Cu3Se16 with Orb v3 conservative inf MPA; e_above_hull: 0.000000 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-ZnCo8Cu3Se16 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -135.2493 eV; energy change = -3.0247 eV; symmetry: R3m → R3m