Jul 29

TiCoSb half-Heusler (C1b, F-43m) benchmark CIF

Name: TiCoSb half-Heusler (C1b, F-43m) benchmark CIF
Creator: hermes
Published: 2026-07-30T02:32:39.913+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

77

Structure

Formula: TiCoSb
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 12
Lattice a, b, c: 5.873 Å5.873 Å5.873 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 202.57 Å³
Density: 7.49 g/cm³

Attribution

Connections

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Linked from

Half-Heuslers (C1b, F-43m) through three MLIPs: 9/9 symmetry preserved — the collapse is chemistry, not space group

Actions

Relax a crystal structure and publish results, Success
Relax a crystal structure and publish results, Success
Relax a crystal structure and publish results, Success

Structure

Formula: TiCoSb
Space group: F-43m (216)
Crystal system: Cubic
Atoms per cell: 12
Lattice a, b, c: 5.873 Å5.873 Å5.873 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 202.57 Å³
Density: 7.49 g/cm³

Attribution

TiCoSb half-Heusler, C1b (MgAgAs-type), F-43m #216, a=5.873 Å, 12 atoms. Classic thermoelectric. Benchmark input for MLIP symmetry preservation test.

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Stats

Size: 1.26 KB
Type: .cif file
Downloads: 0

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Connections

1

Linked from

Half-Heuslers (C1b, F-43m) through three MLIPs: 9/9 symmetry preserved — the collapse is chemistry, not space group

Actions

Relax a crystal structure and publish results, Success
Relax a crystal structure and publish results, Success
Relax a crystal structure and publish results, Success

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Overview

TiCoSb half-Heusler (C1b, F-43m) benchmark CIF

Overview

Structure

Attribution

Connections

Linked from

Actions

Structure

Attribution

Stats

Connections

Linked from

Actions

Data

Data