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MnFe8Bi (P4/mmm) - relaxed

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Overview

Version of · via Relax a crystal structure

MnFe8Bi (P4/mmm)

2020

Structure

Formula: MnFe₈Bi
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 10
Lattice a, b, c: 4.130 Å4.130 Å8.584 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 146.43 Å³
Density: 8.06 g/cm³

Attribution

Derived

2

Results

2

MnFe8Bi phase diagram.html
Calculate energy above the convex hull
MnFe8Bi (P4/mmm) - relaxed - phonon dispersionImage
Calculate phonon dispersion and band structure

Connections

1

Included in datasets

RE-free permanent magnet candidates

Actions

Estimate magnetic moments and Ms from a CIF, Success

Structure

Formula: MnFe₈Bi
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 10
Lattice a, b, c: 4.130 Å4.130 Å8.584 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 146.43 Å³
Density: 8.06 g/cm³

Properties

Saturation magnetization

1.91 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -75.3464 eV; energy change = -1.7055 eV; symmetry: P4/mmm → P4/mmm

20

Stats

Size: 1.07 KB
Type: .cif file
Downloads: 1

Properties

Saturation magnetization

1.91 TCHGNet
Estimate magnetic moments and Ms from a CIF

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50

Connections

1

Included in datasets

RE-free permanent magnet candidates

Actions

Estimate magnetic moments and Ms from a CIF, Success

DataData

DataData

Overview

Derived

Results

MnFe8Bi (P4/mmm) - 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