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Jun 29

LiZn(Co5O8)2 phase diagram

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Jun 29

LiZn(Co5O8)2 phase diagram

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Created by route

Calculate energy above the convex hull

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template-LiZn(Co5O8)2 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -163.5883 eV; energy change = -2.1753 eV; symmetry: R3m → R3m

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Phase diagram of LiZn(Co5O8)2 with Orb v3 conservative inf MPA; e_above_hull: 0.021711 eV/atom; predicted_stable: True

LiZn(Co5O8)2 phase diagram · Files on Ouro

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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-LiZn(Co5O8)2 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -163.5883 eV; energy change = -2.1753 eV; symmetry: R3m → R3m