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Overview

Version of · via Relax a crystal structure

template-Co2NiO4

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inJun 29

template-Co2NiO4 - relaxed

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template-Co2NiO4 - relaxed · Fd-3m crystal structure · Files on Ouro

Overview

Version of · via Relax a crystal structure

template-Co2NiO4

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Structure

Formula: Co₂NiO₄
Space group: Fd-3m (227)
Crystal system: Cubic
Atoms per cell: 14
Lattice a, b, c: 5.771 Å5.776 Å8.166 Å
Angles α, β, γ: 45.05°44.98°60.01°
Volume: 136.19 Å³
Density: 5.87 g/cm³

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Structure

Formula: Co₂NiO₄
Space group: Fd-3m (227)
Crystal system: Cubic
Atoms per cell: 14
Lattice a, b, c: 5.771 Å5.776 Å8.166 Å
Angles α, β, γ: 45.05°44.98°60.01°
Volume: 136.19 Å³
Density: 5.87 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -79.0588 eV; energy change = -0.0302 eV; symmetry: R-3m → Fd-3m

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Size: 1.16 KB
Type: .cif file
Downloads: 0

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Overview

template-Co2NiO4 - relaxed

Overview

Structure

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Structure

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