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template-FeAu - relaxed

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Version of · via Relax a crystal structure

template-FeAu

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Structure

Formula: FeAu
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 2
Lattice a, b, c: 4.758 Å4.758 Å4.758 Å
Angles α, β, γ: 34.52°34.52°34.52°
Volume: 30.86 Å³
Density: 13.60 g/cm³

Attribution

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2

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Structure

Formula: FeAu
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 2
Lattice a, b, c: 4.758 Å4.758 Å4.758 Å
Angles α, β, γ: 34.52°34.52°34.52°
Volume: 30.86 Å³
Density: 13.60 g/cm³

Properties

Curie temperature

405 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.09 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 = -11.2200 eV; energy change = 0.0000 eV; symmetry: R-3m → R-3m

ARR license

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Stats

Size: 704 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

405 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.09 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

2

DataData

DataData

Overview

template-FeAu - 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