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Overview

Version of · via Relax a crystal structure

template-MgAlCr3NiO8 1

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inJun 29

template-MgAlCr3NiO8 1 - relaxed

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template-MgAlCr3NiO8 1 - relaxed · R3m crystal structure · Files on Ouro

Overview

Version of · via Relax a crystal structure

template-MgAlCr3NiO8 1

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Structure

Formula: MgAlCr₃NiO₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 5.904 Å5.904 Å5.904 Å
Angles α, β, γ: 60.85°60.84°60.85°
Volume: 148.30 Å³
Density: 4.41 g/cm³

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RE-free permanent magnet candidates

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Structure

Formula: MgAlCr₃NiO₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 5.904 Å5.904 Å5.904 Å
Angles α, β, γ: 60.85°60.84°60.85°
Volume: 148.30 Å³
Density: 4.41 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -100.6933 eV; energy change = -0.0185 eV; symmetry: R3m → R3m

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Size: 1.17 KB
Type: .cif file
Downloads: 1

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RE-free permanent magnet candidates

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template-MgAlCr3NiO8 1 - relaxed

Overview

Structure

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Structure

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