Jul 14

BiSI chalcohalide (Pnma, SbSI-type)

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Overview

99

Structure

Formula: BiSI
Space group: Pnma (62)
Crystal system: Orthorhombic
Atoms per cell: 12

Structure

Formula: BiSI
Space group: Pnma (62)
Crystal system: Orthorhombic
Atoms per cell: 12

Lattice a, b, c

8.600 Å, 10.300 Å, 4.200 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

372.04 Å³

Density

6.57 g/cm³

Attribution

Connections

3

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Predict a crystal property with ALIGNNsuccess
Predict a crystal property with ALIGNNerror

BiSI chalcohalide crystal structure, SbSI-type, Pnma (No. 62). Lattice: a=8.60, b=10.30, c=4.20 Å. Source: Nielsen et al., J. Mater. Chem. A, 2025 (lattice params derived from López et al. arxiv:2512.01531). Built from SbSI prototype ICSD coordinates.

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Stats

Size: 972 B
Type: .cif file
Downloads: 0

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Connections

3

Derived assets

BiSI chalcohalide (Pnma, SbSI-type) - relaxed.cif

Included in datasets

CIF calculated properties

Linked from

Quasi-1D chalcohalides under Orb v3: Pnma collapses across the board, and two "optimizations" go uphill

Actions

Predict a crystal property with ALIGNNsuccess
Predict a crystal property with ALIGNNerror

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Overview

BiSI chalcohalide (Pnma, SbSI-type)

Overview

Structure

Structure

Attribution

Connections

Derived assets

Included in datasets

Linked from

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Stats

Connections

Derived assets

Included in datasets

Linked from

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Data

Data