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Version of · via Relax a crystal structure

template-LiMn7O7F

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template-LiMn7O7F - relaxed 1

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template-LiMn7O7F - relaxed · P3m1 crystal structure · Files on Ouro

inJun 28

template-LiMn7O7F - relaxed

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Overview

Version of · via Relax a crystal structure

template-LiMn7O7F

Newer version

template-LiMn7O7F - relaxed 1

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Structure

Formula: LiMn₇O₇F
Space group: P3m1 (156)
Crystal system: Trigonal
Atoms per cell: 16
Lattice a, b, c: 3.481 Å3.481 Å21.493 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 225.48 Å³
Density: 3.85 g/cm³

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Structure

Formula: LiMn₇O₇F
Space group: P3m1 (156)
Crystal system: Trigonal
Atoms per cell: 16
Lattice a, b, c: 3.481 Å3.481 Å21.493 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 225.48 Å³
Density: 3.85 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -118.5134 eV; energy change = -0.0041 eV; symmetry: P3m1 → P3m1

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Type: .cif file
Downloads: 1

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template-LiMn7O7F - relaxed

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