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Jun 28

V3(O2F)2 phase diagram

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Jun 28

V3(O2F)2 phase diagram

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Overview

Created by route

Calculate energy above the convex hull

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1

Inputs

template-V3(O2F)2 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -132.6187 eV; energy change = -0.0130 eV; symmetry: P42nm → P42nm

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V3(O2F)2 phase diagram · Files on Ouro

Phase diagram of V3(O2F)2 with Orb v3 conservative inf MPA; e_above_hull: 0.020073 eV/atom; predicted_stable: True

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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-V3(O2F)2 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -132.6187 eV; energy change = -0.0130 eV; symmetry: P42nm → P42nm