inJun 29

template-GaCo4Si3 - relaxed

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Version of · via Relax a crystal structure

template-GaCo4Si3

77

Structure

Formula: GaCo₄Si₃
Space group: R3 (146)
Crystal system: Trigonal
Atoms per cell: 8
Lattice a, b, c: 4.486 Å4.486 Å4.486 Å
Angles α, β, γ: 89.35°89.35°89.34°
Volume: 90.25 Å³
Density: 7.17 g/cm³

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Structure

Formula: GaCo₄Si₃
Space group: R3 (146)
Crystal system: Trigonal
Atoms per cell: 8
Lattice a, b, c: 4.486 Å4.486 Å4.486 Å
Angles α, β, γ: 89.35°89.35°89.34°
Volume: 90.25 Å³
Density: 7.17 g/cm³

Properties

Curie temperature

221 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.09 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 = -51.9034 eV; energy change = -0.3472 eV; symmetry: R3 → R3

ARR license

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Stats

Size: 956 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

221 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.09 TCHGNet
Estimate magnetic moments and Ms from a CIF

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DataData

Overview

template-GaCo4Si3 - 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