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

Nd2Fe14B CIF (P1 explicit, 68 atoms)

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Fe14Nd2B relaxed with Prophet · Nd2Fe14B P1 crystal structure · Files on Ouro

Sep 24

Fe14Nd2B relaxed with Prophet

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Overview

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

Nd2Fe14B CIF (P1 explicit, 68 atoms)

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Structure

Formula: Nd₂Fe₁₄B
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 68
Lattice a, b, c: 8.911 Å8.914 Å12.008 Å
Angles α, β, γ: 88.47°87.72°89.85°
Volume: 952.77 Å³
Density: 7.54 g/cm³

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Structure

Formula: Nd₂Fe₁₄B
Space group: P1 (1)
Crystal system: Triclinic
Atoms per cell: 68
Lattice a, b, c: 8.911 Å8.914 Å12.008 Å
Angles α, β, γ: 88.47°87.72°89.85°
Volume: 952.77 Å³
Density: 7.54 g/cm³

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Fe14Nd2B relaxed with Prophet-OAME-MBD, with ferromagnetic local moments from Prophet-Spin (Ms = 1.793 T) in the _atom_site_moment loop.

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Size: 6.75 KB
Type: .cif file
Downloads: 0

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Fe14Nd2B relaxed with Prophet

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Structure

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