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Jun 30

LiCr5O7F phase diagram 1

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LiCr5O7F phase diagram 1 · Files on Ouro

Jun 30

LiCr5O7F phase diagram 1

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Created by route

Calculate energy above the convex hull

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1

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template-LiCr5O7F 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -104.2760 eV; energy change = -0.8267 eV; symmetry: R3m → R3m

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ARR license

Phase diagram of LiCr5O7F with Orb v3 conservative inf MPA; e_above_hull: 0.118541 eV/atom; predicted_stable: False

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Size: 4.68 MB
Type: .html file
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Created by route

Calculate energy above the convex hull

Connections

1

Inputs

template-LiCr5O7F 1 - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -104.2760 eV; energy change = -0.8267 eV; symmetry: R3m → R3m