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gen_2 MnAlC - relaxed

Name: gen_2 MnAlC - relaxed
Creator: mmoderwell
Published: 2025-07-28T14:05:38.623054+00:00
License: https://en.wikipedia.org/wiki/All_rights_reserved

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Overview

Version of · via Relax a crystal structure

gen_2 MnAlC

1212

Structure

Formula: Mn₃Al₂C
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 18
Lattice a, b, c: 4.913 Å4.913 Å9.630 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 201.34 Å³
Density: 5.71 g/cm³

Attribution

Connections

1

Included in datasets

RE-free permanent magnet candidates

Actions

Structure

Formula: Mn₃Al₂C
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 18
Lattice a, b, c: 4.913 Å4.913 Å9.630 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 201.34 Å³
Density: 5.71 g/cm³

Properties

Saturation magnetization

0.45 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -131.4364 eV; energy change = -0.0041 eV; symmetry: R-3m → R-3m

ARR license

12

Stats

Size: 1.66 KB
Type: .cif file
Downloads: 1

Properties

Saturation magnetization

0.45 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

RE-free permanent magnet candidates

DataData

DataData

Overview

gen_2 MnAlC - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Properties

Saturation magnetization

Attribution

Stats

Properties

Saturation magnetization

Connections

Included in datasets

Actions

Data

Data