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Ni3Pb4ClO8 phase diagram · Files on Ouro

Jun 29

Ni3Pb4ClO8 phase diagram

Overview

Attribution

Phase diagram of Ni3Pb4ClO8 with Orb v3 conservative inf MPA; e_above_hull: 0.388472 eV/atom; predicted_stable: False

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Size: 4.66 MB
Type: .html file
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Created by route

Calculate energy above the convex hull

Connections

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Inputs

template-Ni3Pb4ClO8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -78.2961 eV; energy change = -0.3881 eV; symmetry: P4/mmm → P4/mmm