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Version of · via Relax a crystal structure

template-V2CuS4

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template-V2CuS4 - relaxed · F-43m crystal structure · Files on Ouro

inJun 28

template-V2CuS4 - relaxed

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Overview

Version of · via Relax a crystal structure

template-V2CuS4

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Structure

Formula: V₂CuS₄
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 14
Lattice a, b, c: 6.973 Å6.974 Å6.974 Å
Angles α, β, γ: 60.11°60.02°60.01°
Volume: 240.04 Å³
Density: 4.06 g/cm³

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Structure

Formula: V₂CuS₄
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 14
Lattice a, b, c: 6.973 Å6.974 Å6.974 Å
Angles α, β, γ: 60.11°60.02°60.01°
Volume: 240.04 Å³
Density: 4.06 g/cm³

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -88.3140 eV; energy change = -0.0504 eV; symmetry: I-4m2 → F-43m

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Size: 1.14 KB
Type: .cif file
Downloads: 0

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template-V2CuS4 - relaxed

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