Jul 6

MnAlGe ICSD-anchored CIF (P4/nmm, a=3.915, c=5.840) - relaxed

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MnAlGe ICSD-anchored CIF (P4/nmm, a=3.915, c=5.840)

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MnAlGe (P4/nmm) - DFT relaxed

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Structure

Formula: MnAlGe
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 4.730 Å4.733 Å4.587 Å
Angles α, β, γ: 90.11°89.95°90.03°
Volume: 102.70 Å³
Density: 5.00 g/cm³

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RE-free permanent magnet candidates

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All five decisive cases are done. Every one held its space group. The Wyckoff rigidity hyp...

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Structure

Formula: MnAlGe
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 4.730 Å4.733 Å4.587 Å
Angles α, β, γ: 90.11°89.95°90.03°
Volume: 102.70 Å³
Density: 5.00 g/cm³

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -33.7246 eV; energy change = -1.5063 eV; symmetry: P4/nmm → P4/nmm

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Size: 875 B
Type: .cif file
Downloads: 1

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Connections

2

Included in datasets

RE-free permanent magnet candidates

Linked from

All five decisive cases are done. Every one held its space group. The Wyckoff rigidity hyp...

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Overview

MnAlGe ICSD-anchored CIF (P4/nmm, a=3.915, c=5.840) - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Linked from

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Structure

Attribution

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Connections

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