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template-NbCo2 - relaxed

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Version of · via Relax a crystal structure

template-NbCo2

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Structure

Formula: NbCo₂
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 24
Lattice a, b, c: 4.762 Å4.761 Å15.610 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 306.50 Å³
Density: 9.13 g/cm³

Attribution

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Structure

Formula: NbCo₂
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 24
Lattice a, b, c: 4.762 Å4.761 Å15.610 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 306.50 Å³
Density: 9.13 g/cm³

Properties

Curie temperature

390 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.22 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 = -198.0913 eV; energy change = -0.2201 eV; symmetry: P6_3/mmc → P6_3/mmc

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Stats

Size: 1.57 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

390 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.22 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

2

DataData

DataData

Overview

template-NbCo2 - 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