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Overview

Version of · via Relax a crystal structure

template-Li5(Fe3O8)2

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inJun 29

template-Li5(Fe3O8)2 - relaxed

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template-Li5(Fe3O8)2 - relaxed · Li5Fe6O16 C2/m crystal structure · Files on Ouro

Overview

Version of · via Relax a crystal structure

template-Li5(Fe3O8)2

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Structure

Formula: Li₅Fe₆O₁₆
Space group: C2/m (12)
Crystal system: Monoclinic
Atoms per cell: 27
Lattice a, b, c: 5.960 Å5.828 Å10.101 Å
Angles α, β, γ: 104.97°89.99°120.75°
Volume: 287.60 Å³
Density: 3.61 g/cm³

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RE-free permanent magnet candidates

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Structure

Formula: Li₅Fe₆O₁₆
Space group: C2/m (12)
Crystal system: Monoclinic
Atoms per cell: 27
Lattice a, b, c: 5.960 Å5.828 Å10.101 Å
Angles α, β, γ: 104.97°89.99°120.75°
Volume: 287.60 Å³
Density: 3.61 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -154.7637 eV; energy change = -0.3461 eV; symmetry: R-3m → C2/m

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Size: 1.67 KB
Type: .cif file
Downloads: 0

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RE-free permanent magnet candidates

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template-Li5(Fe3O8)2 - relaxed

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