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Jul 14

Cs2YAgBr6 Fm-3m double perovskite CIF - relaxed

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Created by route

Relax a crystal structure

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Structure

Formula: Cs₂YAgBr₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40

Structure

Formula: Cs₂YAgBr₆
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 40

Lattice a, b, c

11.406 Å, 11.406 Å, 11.406 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

1483.92 Å³

Density

4.22 g/cm³

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Cs2YAgBr6 Fm-3m double perovskite CIF.cif

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

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
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47

Created by route

Relax a crystal structure

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1

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Cs2YAgBr6 Fm-3m double perovskite CIF.cif

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Overview

Cs2YAgBr6 Fm-3m double perovskite CIF - relaxed

Overview

Structure

Structure

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Data

Data