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Jun 28

Fe4SiO9 phase diagram

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Fe4SiO9 phase diagram · Files on Ouro

Jun 28

Fe4SiO9 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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template-Fe4SiO9 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -185.2245 eV; energy change = -0.0081 eV; symmetry: R3 → R3

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ARR license

Phase diagram of Fe4SiO9 with Orb v3 conservative inf MPA; e_above_hull: 0.187792 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

1

Inputs

template-Fe4SiO9 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -185.2245 eV; energy change = -0.0081 eV; symmetry: R3 → R3