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template-CsCoCl3 - relaxed

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Version of · via Relax a crystal structure

template-CsCoCl3

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Structure

Formula: CsCoCl₃
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 10
Lattice a, b, c: 7.383 Å7.383 Å5.977 Å
Angles α, β, γ: 90.00°89.99°120.01°
Volume: 282.17 Å³
Density: 3.51 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: CsCoCl₃
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 10
Lattice a, b, c: 7.383 Å7.383 Å5.977 Å
Angles α, β, γ: 90.00°89.99°120.01°
Volume: 282.17 Å³
Density: 3.51 g/cm³

Properties

Curie temperature

89 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 = -38.7866 eV; energy change = -0.0267 eV; symmetry: P6_3/mmc → P6_3/mmc

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Size: 1.01 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

89 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

1

Included in datasets

CIF calculated properties

DataData

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Overview

template-CsCoCl3 - 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