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template-Nb2GaCo3 - relaxed

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Version of · via Relax a crystal structure

template-Nb2GaCo3

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Structure

Formula: Nb₂GaCo₃
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 12
Lattice a, b, c: 4.915 Å4.915 Å7.677 Å
Angles α, β, γ: 90.00°90.00°119.99°
Volume: 160.63 Å³
Density: 8.94 g/cm³

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Structure

Formula: Nb₂GaCo₃
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 12
Lattice a, b, c: 4.915 Å4.915 Å7.677 Å
Angles α, β, γ: 90.00°90.00°119.99°
Volume: 160.63 Å³
Density: 8.94 g/cm³

Properties

Curie temperature

301 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.03 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 = -92.1043 eV; energy change = -0.3433 eV; symmetry: P6_3/mmc → P6_3/mmc

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Size: 1.1 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

301 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.03 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Nb2GaCo3 - 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