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template-GaCo4Ge3 - relaxed

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Version of · via Relax a crystal structure

template-GaCo4Ge3

99

Structure

Formula: GaCo₄Ge₃
Space group: R3 (146)
Crystal system: Trigonal
Atoms per cell: 8
Lattice a, b, c: 4.639 Å4.639 Å4.639 Å
Angles α, β, γ: 89.44°89.44°89.43°
Volume: 99.84 Å³
Density: 8.71 g/cm³

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Structure

Formula: GaCo₄Ge₃
Space group: R3 (146)
Crystal system: Trigonal
Atoms per cell: 8
Lattice a, b, c: 4.639 Å4.639 Å4.639 Å
Angles α, β, γ: 89.44°89.44°89.43°
Volume: 99.84 Å³
Density: 8.71 g/cm³

Properties

Curie temperature

213 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.14 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 = -47.2273 eV; energy change = -0.0207 eV; symmetry: R3 → R3

ARR license

9

Stats

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

Properties

Curie temperature

213 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.14 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

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2

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DataData

Overview

template-GaCo4Ge3 - 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