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template-LiVFeF6 1 - relaxed

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Version of · via Relax a crystal structure

template-LiVFeF6 1

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template-LiVFeF6 1 - relaxed 1

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Structure

Formula: LiVFeF₆
Space group: P321 (150)
Crystal system: Trigonal
Atoms per cell: 27
Lattice a, b, c: 8.967 Å8.967 Å4.596 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 320.05 Å³
Density: 3.54 g/cm³

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RE-free permanent magnet candidates

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Structure

Formula: LiVFeF₆
Space group: P321 (150)
Crystal system: Trigonal
Atoms per cell: 27
Lattice a, b, c: 8.967 Å8.967 Å4.596 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 320.05 Å³
Density: 3.54 g/cm³

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ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -152.6719 eV; energy change = -0.0785 eV; symmetry: P321 → P321

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Size: 1.66 KB
Type: .cif file
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RE-free permanent magnet candidates

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template-LiVFeF6 1 - relaxed

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Structure

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