inSep 22

MnBi benchmark 1

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MnBi (P6_3/mmc) - DFT relaxed 2

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Structure

Formula: MnBi
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 4
Lattice a, b, c: 4.286 Å4.286 Å6.116 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 97.30 Å³
Density: 9.01 g/cm³

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Derived

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Results

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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: MnBi
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 4
Lattice a, b, c: 4.286 Å4.286 Å6.116 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 97.30 Å³
Density: 9.01 g/cm³

Properties

Curie temperature

Saturation magnetization

0.94 TProphet-Spin
Screen collinear magnetic order and saturation magnetization · Ground state: antiferromagnetic

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ARR license

Experimental low-temperature-phase MnBi, NiAs type (P6_3/mmc), a = 4.286 Å, c = 6.116 Å.

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Size: 1.21 KB
Type: .cif file
Downloads: 2

Properties

Curie temperature

Saturation magnetization

0.94 TProphet-Spin
Screen collinear magnetic order and saturation magnetization · Ground state: antiferromagnetic

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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

MnBi benchmark 1

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