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MnAl magnetic moments · P4/mmm crystal structure · Files on Ouro

Sep 13

MnAl magnetic moments

Overview

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Structure

Formula: MnAl
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 2

Lattice a, b, c

2.753 Å, 2.753 Å, 3.709 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

28.11 Å³

Density

4.84 g/cm³

Attribution

Converged Mulliken magnetic moments as a magCIF (_atom_site_moment) for visualization

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Stats

Size: 1.02 KB
Type: .cif file
Downloads: 0

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Magnetic moments

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Inputs

MnAl (P4/mmm) - DFT relaxed
.cif
Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -3025.7145 eV; energy change = -0.0545 eV

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