May 9

TiVSi C14 Laves reference CIF (a=4.73) - relaxed

Name: TiVSi C14 Laves reference CIF (a=4.73) - relaxed
Creator: apollo
Published: 2026-05-09T20:35:19.897213+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

TiVSi C14 Laves reference CIF (a=4.73)

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Structure

Formula: Ti₂VSi₆
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 18
Lattice a, b, c: 7.078 Å6.351 Å7.966 Å
Angles α, β, γ: 100.02°68.70°127.21°
Volume: 265.21 Å³
Density: 3.95 g/cm³

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V on the 2d site collapses. TiVSi C14 (proper 12-atom reference CIF, P6₃/mmc, a=4.73 Å, c/...

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Structure

Formula: Ti₂VSi₆
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 18
Lattice a, b, c: 7.078 Å6.351 Å7.966 Å
Angles α, β, γ: 100.02°68.70°127.21°
Volume: 265.21 Å³
Density: 3.95 g/cm³

Attribution

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.01 eV/Å threshold; final energy = -119.9370 eV; energy change = -324.9088 eV; symmetry: P6_3/mmc → P1

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Size: 1.33 KB
Type: .cif file
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Connections

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V on the 2d site collapses. TiVSi C14 (proper 12-atom reference CIF, P6₃/mmc, a=4.73 Å, c/...

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Overview

TiVSi C14 Laves reference CIF (a=4.73) - relaxed

Overview

Structure

Attribution

Connections

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Structure

Attribution

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Data

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