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bcc Fe benchmark

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Fe (Im-3m): Prophet relaxed, FM magnetic moments (5.44 μB)

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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: 23.55 Å³
Density: 7.87 g/cm³

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Derived

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Results

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

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2

Included in datasets

Magnetic materials benchmark set

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Three Curie temperature estimates against 39 measured magnets: the best scorer is recalling its training set

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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: 23.55 Å³
Density: 7.87 g/cm³

Properties

Curie temperature

Saturation magnetization

2.73 TProphet-Spin
Screen collinear magnetic order and saturation magnetization · Ground state: ferromagnetic

Attribution

ARR license

Experimental bcc Fe, a = 2.8665 Å, two-atom cell.

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Stats

Size: 434 B
Type: .cif file
Downloads: 1

Properties

Curie temperature

Saturation magnetization

2.73 TProphet-Spin
Screen collinear magnetic order and saturation magnetization · Ground state: ferromagnetic

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Connections

2

Included in datasets

Magnetic materials benchmark set

Linked from

Three Curie temperature estimates against 39 measured magnets: the best scorer is recalling its training set

DataData

DataData

Overview

Derived

Results

bcc Fe benchmark

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Linked from

Actions

Structure

Properties

Curie temperature

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Saturation magnetization

Connections

Included in datasets

Linked from

Actions

Data

Data