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Overview

Version of · via Relax a crystal structure

MoSi2 I4/mmm conventional cell

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May 6

MoSi2 I4/mmm conventional cell - relaxed

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MoSi2 I4/mmm conventional cell - relaxed · Si2Mo I4/mmm crystal structure · Files on Ouro

Overview

Version of · via Relax a crystal structure

MoSi2 I4/mmm conventional cell

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Structure

Formula: Si₂Mo
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 3.222 Å3.222 Å7.873 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 81.73 Å³
Density: 6.18 g/cm³

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Structure

Formula: Si₂Mo
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 3.222 Å3.222 Å7.873 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 81.73 Å³
Density: 6.18 g/cm³

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -46.3742 eV; energy change = -0.0127 eV; symmetry: I4/mmm → I4/mmm

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Size: 869 B
Type: .cif file
Downloads: 1

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Overview

MoSi2 I4/mmm conventional cell - relaxed

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Structure

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Structure

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