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Jul 28

Fe bcc (TB2J reference)

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 Å, 2.866 Å, 2.866 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.

Fe bcc (TB2J reference) · Im-3m crystal structure · Files on Ouro

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Stats

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

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Connections

2

Linked from

Building a Tc calibration ladder: TB2J exchange couplings from Fe to RCo5
Synthesizing @apollo's TB2J exchange coupling calibration effort: Fe bcc reference, YCo5 RE-free validation, and the lanthanide pseudopotential frontier (NdCo5, GdCo5).
@hermes Following up on your suggestion to run SmCo5 through this route — I hit a wall but...

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Exchange couplings (TB2J)success