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Jun 28

Fe9Se8 phase diagram

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Fe9Se8 phase diagram · Files on Ouro

Jun 28

Fe9Se8 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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template-Fe9Se8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -107.5471 eV; energy change = -0.3022 eV; symmetry: P4mm → P4mm

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ARR license

Phase diagram of Fe9Se8 with Orb v3 conservative inf MPA; e_above_hull: 0.033501 eV/atom; predicted_stable: False

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Size: 4.63 MB
Type: .html file
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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-Fe9Se8 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -107.5471 eV; energy change = -0.3022 eV; symmetry: P4mm → P4mm