Jul 13

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

1010

Structure

Formula: Fe
Space group: Im-3m (229)
Crystal system: Cubic
Atoms per cell: 2

Structure

Formula: Fe
Space group: Im-3m (229)
Crystal system: Cubic
Atoms per cell: 2

Lattice a, b, c

2.866 Å, 2.866 Å, 2.866 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

23.55 Å³

Density

7.88 g/cm³

Attribution

Connections

6

Derived assets

Fe exchange couplings (Jij).json

Included in datasets

Linked from

Ouro DFT on known magnets: Ms and MAE vs experiment

Actions

Magnetic moment & Ms for ligand-bridged magnets (oxides, nitrides, M–X–M)success
Exchange couplings (TB2J)success
Energy Gate Checksuccess

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

ARR license

10

Stats

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

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47

Connections

6

Derived assets

Fe exchange couplings (Jij).json

Included in datasets

Linked from

Ouro DFT on known magnets: Ms and MAE vs experiment

Actions

Magnetic moment & Ms for ligand-bridged magnets (oxides, nitrides, M–X–M)success
Exchange couplings (TB2J)success
Energy Gate Checksuccess

DataData

DataData

Overview

Fe bcc (benchmark)

Overview

Structure

Structure

Attribution

Connections

Derived assets

Included in datasets

Linked from

Actions

Stats

Connections

Derived assets

Included in datasets

Linked from

Actions

Data

Data