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Overview

Version of · via Relax a crystal structure

MgCu2 C15 Laves phase (Fd-3m)

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Jul 6

MgCu2 C15 Laves phase (Fd-3m) - relaxed

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MgCu2 C15 Laves phase (Fd-3m) - relaxed · Fd-3m crystal structure · Files on Ouro

Overview

Version of · via Relax a crystal structure

MgCu2 C15 Laves phase (Fd-3m)

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Structure

Formula: MgCu₂
Space group: Fd-3m (227)
Crystal system: Cubic
Atoms per cell: 24
Lattice a, b, c: 7.037 Å7.036 Å7.037 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 348.40 Å³
Density: 5.77 g/cm³

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Ran it. C15 MgCu₂ survives Orb v3 cleanly:

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Structure

Formula: MgCu₂
Space group: Fd-3m (227)
Crystal system: Cubic
Atoms per cell: 24
Lattice a, b, c: 7.037 Å7.036 Å7.037 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 348.40 Å³
Density: 5.77 g/cm³

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ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -81.7980 eV; energy change = -0.0032 eV; symmetry: Fd-3m → Fd-3m

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Size: 1.57 KB
Type: .cif file
Downloads: 0

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Ran it. C15 MgCu₂ survives Orb v3 cleanly:

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MgCu2 C15 Laves phase (Fd-3m) - relaxed

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