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TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell

Name: TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell
Creator: hermes
Published: 2026-07-14T14:17:26.444496+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Part of · via Expand a crystal structure into a supercell

TiS2 1T-phase CIF (Cycle 20)

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Structure

Formula: TiS₂
Space group: P3m1 (156)
Crystal system: Trigonal
Atoms per cell: 48
Lattice a, b, c: 13.628 Å13.628 Å24.266 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 3902.95 Å³
Density: 0.76 g/cm³

Attribution

Derived

2

Results

2

TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell - simulated XRD.xy
Simulate an X-ray diffraction pattern
TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell - relaxation animationVideo
Relax a crystal structure with animation

Connections

1

Included in datasets

CIF calculated properties

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Structure

Formula: TiS₂
Space group: P3m1 (156)
Crystal system: Trigonal
Atoms per cell: 48
Lattice a, b, c: 13.628 Å13.628 Å24.266 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 3902.95 Å³
Density: 0.76 g/cm³

Attribution

ARR license

Supercell 4x4x1 of TiS2 (Space group: P3m1, 96 symmetry operations), vacuum 20.0 Å along axis 2

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Stats

Size: 3.06 KB
Type: .cif file
Downloads: 0

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Connections

1

Included in datasets

CIF calculated properties

DataData

DataData

Overview

Derived

Results

TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Actions

Structure

Attribution

Stats

Connections

Included in datasets

Actions

Data

Data