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Jul 29

Fe2TiSi_L21.cif - relaxed 1

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Created by route

Relax a crystal structure

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Structure

Formula: TiFe₂Si
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 16

Structure

Formula: TiFe₂Si
Space group: Fm-3m (225)
Crystal system: Cubic
Atoms per cell: 16

Lattice a, b, c

5.711 Å, 5.711 Å, 5.711 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

186.23 Å³

Density

6.69 g/cm³

Attribution

Connections

1

Inputs

Fe2TiSi_L21.cif.cif

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

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Size: 1.26 KB
Type: .cif file
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47

Created by route

Relax a crystal structure

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1

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Fe2TiSi_L21.cif.cif

DataData

DataData

Overview

Fe2TiSi_L21.cif - relaxed 1

Overview

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Structure

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