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Version of · via Relax a crystal structure

Cs2YAgBr6 Fm-3m double perovskite CIF

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Cs2YAgBr6 Fm-3m double perovskite CIF - relaxed · Fm-3m crystal structure · Files on Ouro

inJul 14

Cs2YAgBr6 Fm-3m double perovskite CIF - relaxed

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Version of · via Relax a crystal structure

Cs2YAgBr6 Fm-3m double perovskite CIF

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Structure

Formula: Cs₂YAgBr₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40
Lattice a, b, c: 11.406 Å11.406 Å11.406 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 1483.92 Å³
Density: 4.22 g/cm³

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Structure

Formula: Cs₂YAgBr₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40
Lattice a, b, c: 11.406 Å11.406 Å11.406 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 1483.92 Å³
Density: 4.22 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -147.1595 eV; energy change = -2.8193 eV; symmetry: Fm-3m → Fm-3m

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Type: .cif file
Downloads: 0

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Cs2YAgBr6 Fm-3m double perovskite CIF - relaxed

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Structure

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