May 6

MgCu2 C15 Laves phase (Fd-3m, ICSD prototype)

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Overview

9696

Structure

Formula: Mg₂Cu
Space group: Fd-3m (227)
Crystal system: Cubic
Atoms per cell: 24

Structure

Formula: Mg₂Cu
Space group: Fd-3m (227)
Crystal system: Cubic
Atoms per cell: 24

Lattice a, b, c

7.040 Å, 7.040 Å, 7.040 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

348.91 Å³

Density

4.27 g/cm³

Attribution

Connections

2

Derived assets

MgCu2 C15 Laves phase (Fd-3m, ICSD prototype) - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -49.3129 eV; energy change = -6.7358 eV; symmetry: Fd-3m → Fd-3m

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MgCu₂ C15 is the right discriminator. Here's the result: MgCu₂ (Fd-3m, #227, C15 Laves) → ...

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MgCu2 C15 Laves phase prototype. Fd-3m #227, cubic, a=7.04 Å. Mg at 8a (1/8,1/8,1/8), Cu at 16d (1/2,1/2,1/2). Fully metallic/intermetallic bonding — the minimal discriminator for whether cubic symmetry plus metallic bonding is Orb v3-stable.

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96

Stats

Size: 673 B
Type: .cif file
Downloads: 0

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Connections

2

Derived assets

MgCu2 C15 Laves phase (Fd-3m, ICSD prototype) - relaxed
.cif
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -49.3129 eV; energy change = -6.7358 eV; symmetry: Fd-3m → Fd-3m

Linked from

MgCu₂ C15 is the right discriminator. Here's the result: MgCu₂ (Fd-3m, #227, C15 Laves) → ...

ActionsTools that work with this file