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template-Fe5Si3 - relaxed

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Version of · via Relax a crystal structure

template-Fe5Si3

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Structure

Formula: Fe₅Si₃
Space group: P6_3/mcm (193)
Crystal system: Hexagonal
Atoms per cell: 16
Lattice a, b, c: 6.698 Å6.698 Å4.686 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 182.07 Å³
Density: 6.63 g/cm³

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Structure

Formula: Fe₅Si₃
Space group: P6_3/mcm (193)
Crystal system: Hexagonal
Atoms per cell: 16
Lattice a, b, c: 6.698 Å6.698 Å4.686 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 182.07 Å³
Density: 6.63 g/cm³

Properties

Curie temperature

412 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.83 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -122.9899 eV; energy change = -0.0001 eV; symmetry: P6_3/mcm → P6_3/mcm

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Size: 1.25 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

412 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.83 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Fe5Si3 - relaxed

Overview

Structure

Attribution

Connections

Included in datasets

Actions

Structure

Properties

Curie temperature

Saturation magnetization

Attribution

Stats

Properties

Curie temperature

Saturation magnetization

Connections

Included in datasets

Actions

Data

Data