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MnFe6Bi (P4/mmm) - relaxed

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Version of · via Relax a crystal structure

MnFe6Bi (P4/mmm)

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Structure

Formula: MnFe₆Bi
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 4.130 Å4.130 Å5.984 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 102.08 Å³
Density: 9.74 g/cm³

Attribution

Derived

2

Results

2

MnFe6Bi phase diagram.html
Calculate energy above the convex hull
MnFe6Bi (P4/mmm) - relaxed - phonon dispersionImage
Calculate phonon dispersion and band structure

Connections

1

Referenced by

MAE Testing the Treequest Search

Actions

Structure

Formula: MnFe₆Bi
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 4.130 Å4.130 Å5.984 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 102.08 Å³
Density: 9.74 g/cm³

Properties

Curie temperature

638 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.86 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -61.5567 eV; energy change = -0.0596 eV; symmetry: P4/mmm → P4/mmm

32

Stats

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

Properties

Curie temperature

638 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.86 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Referenced by

MAE Testing the Treequest Search

DataData

DataData

Overview

Derived

Results

MnFe6Bi (P4/mmm) - relaxed

Overview

Structure

Attribution

Derived

Results

Connections

Referenced by

Actions

Structure

Properties

Curie temperature

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Saturation magnetization

Connections

Referenced by

Actions

Data

Data