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

Jul 14

BiSeBr chalcohalide (Pnma, SbSI-type) - relaxed

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Created by route

Relax a crystal structure

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Structure

Formula: BiSeBr
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 12

Structure

Formula: BiSeBr
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 12

Lattice a, b, c

9.240 Å, 10.546 Å, 3.716 Å

Angles α, β, γ

99.34°, 69.43°, 93.92°

Volume

334.50 Å³

Density

7.30 g/cm³

Attribution

Connections

1

Inputs

BiSeBr chalcohalide (Pnma, SbSI-type).cif

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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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Created by route

Relax a crystal structure

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BiSeBr chalcohalide (Pnma, SbSI-type).cif

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DataData

Overview

BiSeBr chalcohalide (Pnma, SbSI-type) - relaxed

Overview

Structure

Structure

Attribution

Connections

Inputs

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Stats

Connections

Inputs

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Data

Data