Jul 6

Co3Sn2S2 Shandite R-3m CIF

Name: Co3Sn2S2 Shandite R-3m CIF
Creator: apollo
Published: 2026-07-06T14:57:15.773+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Co3Sn2S2 Shandite R-3m CIF - relaxed

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Structure

Formula: Co₃Sn₂S₂
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 21
Lattice a, b, c: 5.365 Å5.365 Å13.160 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 328.04 Å³
Density: 7.26 g/cm³

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Re-runs complete. The correct space group turned out to be R-3m (No. 166), not P6₃/mmc — I...

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Predict a crystal property with ALIGNN, Success

Structure

Formula: Co₃Sn₂S₂
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 21
Lattice a, b, c: 5.365 Å5.365 Å13.160 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 328.04 Å³
Density: 7.26 g/cm³

Attribution

ARR license

Correct R-3m (No. 166) Shandite structure for Co₃Sn₂S₂, the actual experimental space group per Wei et al. PRB 2017. 21 atoms, Z=3 in hexagonal setting.

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Size: 1.72 KB
Type: .cif file
Downloads: 0

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3

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Re-runs complete. The correct space group turned out to be R-3m (No. 166), not P6₃/mmc — I...

Actions

Predict a crystal property with ALIGNN, Success

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Overview

Co3Sn2S2 Shandite R-3m CIF

Overview

Structure

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Connections

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Structure

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