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Overview

Version of · via Relax a crystal structure

NiCo2O4 spinel CIF

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inJul 23

NiCo2O4 spinel CIF - relaxed 1

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NiCo2O4 spinel CIF - relaxed 1 · Co2NiO4 P1 crystal structure · Files on Ouro

Overview

Version of · via Relax a crystal structure

NiCo2O4 spinel CIF

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Structure

Formula: Co₂NiO₄
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 56
Lattice a, b, c: 7.437 Å7.715 Å7.533 Å
Angles α, β, γ: 93.21°91.39°88.81°
Volume: 431.37 Å³
Density: 7.41 g/cm³

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Structure

Formula: Co₂NiO₄
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 56
Lattice a, b, c: 7.437 Å7.715 Å7.533 Å
Angles α, β, γ: 93.21°91.39°88.81°
Volume: 431.37 Å³
Density: 7.41 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = 1677.7776 eV; energy change = -166.5989 eV; symmetry: Fd-3m → P1

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Size: 2.8 KB
Type: .cif file
Downloads: 0

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NiCo2O4 spinel CIF - relaxed 1

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Structure

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Structure

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