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MnFe6Si (P4/mmm) - doped S 5.0% - relaxed

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Version of · via Relax a crystal structure

MnFe6Si (P4/mmm) - doped S 5.0%

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Structure

Formula: Mn₈Fe₄₈Si₈S₃
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 67
Lattice a, b, c: 7.410 Å7.145 Å14.776 Å
Angles α, β, γ: 89.98°89.94°90.00°
Volume: 782.36 Å³
Density: 7.30 g/cm³

Attribution

Derived

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Results

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MnFe6Si (P4/mmm) - doped S 5.0% - relaxed - phonon dispersionImage
Calculate phonon dispersion and band structure

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Included in datasets

RE-free permanent magnet candidates

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Structure

Formula: Mn₈Fe₄₈Si₈S₃
Space group: Pm (6)
Crystal system: Monoclinic
Atoms per cell: 67
Lattice a, b, c: 7.410 Å7.145 Å14.776 Å
Angles α, β, γ: 89.98°89.94°90.00°
Volume: 782.36 Å³
Density: 7.30 g/cm³

Properties

Saturation magnetization

1.84 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -536.0711 eV; energy change = -55.6215 eV; symmetry: P1 → Pm

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Stats

Size: 3.34 KB
Type: .cif file
Downloads: 1

Properties

Saturation magnetization

1.84 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

Derived

Results

MnFe6Si (P4/mmm) - doped S 5.0% - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Included in datasets

Actions

Structure

Properties

Saturation magnetization

Attribution

Stats

Properties

Saturation magnetization

Connections

Included in datasets

Actions

Data

Data