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Fe2B relaxed with Prophet

Name: Fe2B relaxed with Prophet
Creator: mmoderwell
Published: 2026-09-22T22:47:52.187671+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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

Fe2B DFT relaxed structure

From Fe2B (I4/mmm)

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Structure

Formula: Fe₂B
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 3
Lattice a, b, c: 2.501 Å2.501 Å4.492 Å
Angles α, β, γ: 106.16°106.16°90.00°
Volume: 25.83 Å³
Density: 7.88 g/cm³

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Structure

Formula: Fe₂B
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 3
Lattice a, b, c: 2.501 Å2.501 Å4.492 Å
Angles α, β, γ: 106.16°106.16°90.00°
Volume: 25.83 Å³
Density: 7.88 g/cm³

Properties

Curie temperature

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Fe2B relaxed with Prophet-OAME-MBD, with antiferromagnetic local moments from Prophet-Spin (Ms = 1.297 T) in the _atom_site_moment loop.

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Size: 1 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

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Overview

Fe2B relaxed with Prophet

Overview

Structure

Attribution

Actions

Structure

Properties

Curie temperature

Attribution

Stats

Properties

Curie temperature

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Data

Data