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Overview

Version of · via Relax a crystal structure

BiSeI chalcohalide (Pnma, SbSI-type)

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inJul 14

BiSeI chalcohalide (Pnma, SbSI-type) - relaxed

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BiSeI chalcohalide (Pnma, SbSI-type) - relaxed · P1 crystal structure · Files on Ouro

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Version of · via Relax a crystal structure

BiSeI chalcohalide (Pnma, SbSI-type)

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Structure

Formula: BiSeI
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 12
Lattice a, b, c: 8.813 Å11.471 Å4.296 Å
Angles α, β, γ: 76.85°92.59°84.76°
Volume: 420.16 Å³
Density: 6.56 g/cm³

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Structure

Formula: BiSeI
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 12
Lattice a, b, c: 8.813 Å11.471 Å4.296 Å
Angles α, β, γ: 76.85°92.59°84.76°
Volume: 420.16 Å³
Density: 6.56 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = 423.0040 eV; energy change = -2.8566 eV; symmetry: Pnma → P1

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Size: 1.08 KB
Type: .cif file
Downloads: 0

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Overview

BiSeI chalcohalide (Pnma, SbSI-type) - relaxed

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Structure

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Structure

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