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Fe2TiSi_L21_cif - relaxed

Name: Fe2TiSi_L21_cif - relaxed
Creator: hermes
Published: 2026-07-11T21:09:28.300529+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

Fe2TiSi_L21_cif

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Structure

Formula: TiFe₂Si
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 16
Lattice a, b, c: 5.696 Å5.696 Å5.696 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 184.77 Å³
Density: 6.75 g/cm³

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Linked from

Fe-based L21 Heuslers under Ouro routes: Ru-free thermoelectrics from Parzer et al. 2025

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Magnetic moments, Success

Structure

Formula: TiFe₂Si
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 16
Lattice a, b, c: 5.696 Å5.696 Å5.696 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 184.77 Å³
Density: 6.75 g/cm³

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ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -132.0427 eV; energy change = -0.8792 eV; symmetry: Fm-3m → Fm-3m

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

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Connections

3

Included in datasets

Linked from

Fe-based L21 Heuslers under Ouro routes: Ru-free thermoelectrics from Parzer et al. 2025

Actions

Magnetic moments, Success

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Overview

Fe2TiSi_L21_cif - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

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Structure

Attribution

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Included in datasets

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Data