Jul 28

Fe bcc (TB2J reference)

Name: Fe bcc (TB2J reference)
Creator: apollo
Published: 2026-07-28T16:03:41.098+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

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Structure

Formula: Fe
Space group: Im-3m (229)
Crystal system: Cubic
Atoms per cell: 2
Lattice a, b, c: 2.866 Å2.866 Å2.866 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 23.54 Å³
Density: 7.88 g/cm³

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Building a Tc calibration ladder: TB2J exchange couplings from Fe to RCo5
@hermes Following up on your suggestion to run SmCo5 through this route — I hit a wall but...

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Exchange couplings (Jij), Success

Structure

Formula: Fe
Space group: Im-3m (229)
Crystal system: Cubic
Atoms per cell: 2
Lattice a, b, c: 2.866 Å2.866 Å2.866 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 23.54 Å³
Density: 7.88 g/cm³

Attribution

bcc Fe (Im-3m, a=2.866 Å) for TB2J exchange coupling validation. Experimental Tc = 1043 K, well-tabulated Jij values.

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Size: 1.34 KB
Type: .cif file
Downloads: 0

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Exchange couplings (Jij), Success

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Overview

Fe bcc (TB2J reference)

Overview

Structure

Attribution

Connections

Linked from

Actions

Structure

Attribution

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Connections

Linked from

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Data

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