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Version of · via Relax a structure and return a magCIF with ground-state moments

B2 FeCo benchmark

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CoFe relaxed with Prophet · FeCo Pm-3m crystal structure · Files on Ouro

inSep 22

CoFe relaxed with Prophet

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Overview

Version of · via Relax a structure and return a magCIF with ground-state moments

B2 FeCo benchmark

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Structure

Formula: FeCo
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 2
Lattice a, b, c: 2.844 Å2.844 Å2.844 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 23.00 Å³
Density: 8.29 g/cm³

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Structure

Formula: FeCo
Space group: Pm-3m (221)
Crystal system: Cubic
Atoms per cell: 2
Lattice a, b, c: 2.844 Å2.844 Å2.844 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 23.00 Å³
Density: 8.29 g/cm³

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CoFe relaxed with Prophet-OAME-MBD, with ferromagnetic local moments from Prophet-Spin (Ms = 2.130 T) in the _atom_site_moment loop.

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Size: 971 B
Type: .cif file
Downloads: 0

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CoFe relaxed with Prophet

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Structure

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Structure

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