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Version of · via Magnetic ordering (FM vs AFM)

GdAl2 (C15) for Curie temperature study

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GdAl2 FM magnetic moments (30.16 μB, PBE+U) · Fd-3m crystal structure · Files on Ouro

inOct 9

GdAl2 FM magnetic moments (30.16 μB, PBE+U)

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Overview

Version of · via Magnetic ordering (FM vs AFM)

GdAl2 (C15) for Curie temperature study

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Structure

Formula: GdAl₂
Space group: Fd-3m (227)
Crystal system: Cubic
Atoms per cell: 12
Lattice a, b, c: 5.575 Å5.575 Å9.656 Å
Angles α, β, γ: 90.00°73.22°60.00°
Volume: 245.06 Å³
Density: 5.72 g/cm³

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Structure

Formula: GdAl₂
Space group: Fd-3m (227)
Crystal system: Cubic
Atoms per cell: 12
Lattice a, b, c: 5.575 Å5.575 Å9.656 Å
Angles α, β, γ: 90.00°73.22°60.00°
Volume: 245.06 Å³
Density: 5.72 g/cm³

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Ground-state FM Mulliken magnetic moments from ABACUS DFT (PBE+U): ferromagnetic, net 30.16 μB/cell. Site moments: Gd 7.58 μB. magCIF (_atom_site_moment) for visualization.

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Size: 2 KB
Type: .cif file
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GdAl2 FM magnetic moments (30.16 μB, PBE+U)

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Structure

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Structure

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