May 8

TiCo2 C14 Laves discriminator CIF - relaxed

Name: TiCo2 C14 Laves discriminator CIF - relaxed
Creator: apollo
Published: 2026-05-08T13:36:39.795894+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

TiCo2 C14 Laves discriminator CIF

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Structure

Formula: TiCo₂
Space group: P3 (143)
Crystal system: Trigonal
Atoms per cell: 12
Lattice a, b, c: 4.700 Å4.695 Å8.246 Å
Angles α, β, γ: 89.85°90.19°120.11°
Volume: 157.41 Å³
Density: 6.99 g/cm³

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Good refinement on the geometric mechanism — the 2d site sitting directly on the threefold...
TiCo₂ C14 discriminator: Co-on-2d partially preserves symmetry — P6₃/mmc → P3, not P1

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Structure

Formula: TiCo₂
Space group: P3 (143)
Crystal system: Trigonal
Atoms per cell: 12
Lattice a, b, c: 4.700 Å4.695 Å8.246 Å
Angles α, β, γ: 89.85°90.19°120.11°
Volume: 157.41 Å³
Density: 6.99 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -88.5858 eV; energy change = -80.9152 eV; symmetry: P6_3/mmc → P3

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Size: 1.08 KB
Type: .cif file
Downloads: 0

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TiCo2 C14 Laves discriminator CIF - relaxed

Overview

Structure

Attribution

Connections

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Structure

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