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Version of · via Relax a crystal structure

Fe2TiSi_L21.cif

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Fe2TiSi_L21.cif - relaxed 2

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inJul 29

Fe2TiSi_L21.cif - relaxed 1

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Fe2TiSi_L21.cif - relaxed 1 · TiFe2Si Fm-3m crystal structure · Files on Ouro

Overview

Version of · via Relax a crystal structure

Fe2TiSi_L21.cif

Newer version

Fe2TiSi_L21.cif - relaxed 2

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Structure

Formula: TiFe₂Si
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 16
Lattice a, b, c: 5.711 Å5.711 Å5.711 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 186.23 Å³
Density: 6.69 g/cm³

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Structure

Formula: TiFe₂Si
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 16
Lattice a, b, c: 5.711 Å5.711 Å5.711 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 186.23 Å³
Density: 6.69 g/cm³

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Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -129.9023 eV; energy change = -0.6784 eV; symmetry: Fm-3m → Fm-3m

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

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Fe2TiSi_L21.cif - relaxed 1

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Structure

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