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Version of · via Relax a crystal structure

BiSeBr chalcohalide (Pnma, SbSI-type)

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

inJul 14

BiSeBr chalcohalide (Pnma, SbSI-type) - relaxed

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Version of · via Relax a crystal structure

BiSeBr chalcohalide (Pnma, SbSI-type)

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Structure

Formula: BiSeBr
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 12
Lattice a, b, c: 9.240 Å10.546 Å3.716 Å
Angles α, β, γ: 99.34°69.43°93.92°
Volume: 334.50 Å³
Density: 7.30 g/cm³

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Structure

Formula: BiSeBr
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 12
Lattice a, b, c: 9.240 Å10.546 Å3.716 Å
Angles α, β, γ: 99.34°69.43°93.92°
Volume: 334.50 Å³
Density: 7.30 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = 441.5893 eV; energy change = 13.8568 eV; symmetry: Pnma → P1

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Size: 1.09 KB
Type: .cif file
Downloads: 0

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BiSeBr chalcohalide (Pnma, SbSI-type) - relaxed

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Structure

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Structure

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