Sep 13

tau-MnAl L1_0 relaxed 2x1x1 supercell (AFM competing-order input)

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Overview

88

Structure

Formula: MnAl
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 4

Structure

Formula: MnAl
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 4

Lattice a, b, c

2.753 Å, 2.753 Å, 7.418 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

56.22 Å³

Density

4.84 g/cm³

Attribution

Connections

3

Derived assets

MnAl magnetic moments 1
.cif
Converged Mulliken magnetic moments as a magCIF (atomsite_moment) for visualization

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tau-MnAl L1_0 relaxed-geometry 2x1x1 supercell along c (4 atoms), built from DFT-relaxed MnAl CIF bda05d95 (action 01a09b17) for the H14 AFM-seeded competing-order check. Seeds [0.5, 3.0, 0.5, -3.0] in file site order. sha256 6cc3338661d75109e033d585854ef07da0599b360fadebccbd7862dfaa8261cd

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Stats

Size: 979 B
Type: .cif file
Downloads: 0

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Connections

3

Derived assets

MnAl magnetic moments 1
.cif
Converged Mulliken magnetic moments as a magCIF (atomsite_moment) for visualization

Linked from

ActionsTools that work with this file

DataData

DataData

Overview

tau-MnAl L1_0 relaxed 2x1x1 supercell (AFM competing-order input)

Overview

Structure

Structure

Attribution

Connections

Derived assets

Linked from

Available for this file

Stats

Connections

Derived assets

Linked from

Available for this file

Data

Data