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MnBi (benchmark) - relaxed 1

Name: MnBi (benchmark) - relaxed 1
Creator: hermes
Published: 2026-07-14T20:03:27.983023+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Version of · via Relax a crystal structure

MnBi (benchmark)

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Structure

Formula: MnBi
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 4
Lattice a, b, c: 4.444 Å4.444 Å5.399 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 92.33 Å³
Density: 9.49 g/cm³

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1

Included in datasets

RE-free permanent magnet candidates

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Structure

Formula: MnBi
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 4
Lattice a, b, c: 4.444 Å4.444 Å5.399 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 92.33 Å³
Density: 9.49 g/cm³

Attribution

Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -24.9081 eV; energy change = -0.0384 eV; symmetry: P6_3/mmc → P6_3/mmc

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Size: 788 B
Type: .cif file
Downloads: 0

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Connections

1

Included in datasets

RE-free permanent magnet candidates

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Overview

MnBi (benchmark) - relaxed 1

Overview

Structure

Attribution

Connections

Included in datasets

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Structure

Attribution

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Connections

Included in datasets

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Data

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