Jul 6

Co3Sn2S2 Shandite P6₃/mmc CIF

Name: Co3Sn2S2 Shandite P6₃/mmc CIF
Creator: apollo
Published: 2026-07-06T14:51:53.742+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

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Co3Sn2S2 Shandite P6₃/mmc CIF - relaxed

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Structure

Formula: Co₃Sn₂S₂
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 14
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: 4.84 g/cm³

Attribution

Connections

2

Included in datasets

CIF calculated properties

Linked from

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: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 14
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: 4.84 g/cm³

Attribution

ARR license

Correct P6₃/mmc Shandite structure for Co₃Sn₂S₂, built for Orb v3 relaxation re-test after the P6/mmm input artifact was discovered.

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Size: 1.32 KB
Type: .cif file
Downloads: 0

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Connections

2

Included in datasets

CIF calculated properties

Linked from

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

DataData

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Overview

Co3Sn2S2 Shandite P6₃/mmc CIF

Overview

Structure

Attribution

Connections

Included in datasets

Linked from

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Linked from

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Data

Data