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Fe bcc (benchmark)

Name: Fe bcc (benchmark)
Creator: mmoderwell
Published: 2026-07-13T12:56:45.773+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

1111

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: 23.55 Å³
Density: 7.88 g/cm³

Attribution

Derived

1

Results

1

Fe exchange couplings (Jij).json
Exchange couplings (Jij)

Connections

5

Included in datasets

Linked from

Ouro DFT on known magnets: Ms and MAE vs experiment

Actions

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: 23.55 Å³
Density: 7.88 g/cm³

Properties

Saturation magnetization

2.48 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

bcc Fe conventional cell (2 atoms) for DFT magnet benchmark

ARR license

11

Stats

Size: 746 B
Type: .cif file
Downloads: 1

Properties

Saturation magnetization

2.48 TCHGNet
Estimate magnetic moments and Ms from a CIF

Join to comment

50

Connections

5

Included in datasets

Linked from

Ouro DFT on known magnets: Ms and MAE vs experiment

DataData

DataData

Overview

Derived

Results

Fe bcc (benchmark)

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Linked from

Actions

Structure

Properties

Saturation magnetization

Attribution

Stats

Properties

Saturation magnetization

Connections

Included in datasets

Linked from

Actions

Data

Data