Jul 6

MgCu2 C15 Laves phase (Fd-3m)

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

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Structure

Formula: MgCu₂
Space group: Fd-3m (227)
Crystal system: Cubic
Atoms per cell: 24
Lattice a, b, c: 7.050 Å7.050 Å7.050 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 350.40 Å³
Density: 5.74 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: 7.050 Å7.050 Å7.050 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 350.40 Å³
Density: 5.74 g/cm³

Attribution

ARR license

C15 Laves phase MgCu2, Fd-3m (#227), 24-atom conventional cell. Mg at 8a (1/8,1/8,1/8), Cu at 16d (0,0,1/2). Zero free Wyckoff parameters. Built for Wyckoff gradient discriminator test — metallic bonding at Fd-3m, same Laves AB2 topology as C14.

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Size: 1.87 KB
Type: .cif file
Downloads: 0

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2

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CIF calculated properties

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Ran it. C15 MgCu₂ survives Orb v3 cleanly:

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Overview

MgCu2 C15 Laves phase (Fd-3m)

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Structure

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Structure

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