inJun 29

template-CsCoF4 - relaxed

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Version of · via Relax a crystal structure

template-CsCoF4

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Structure

Formula: CsCoF₄
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 24
Lattice a, b, c: 7.956 Å7.955 Å6.416 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 406.04 Å³
Density: 4.38 g/cm³

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Structure

Formula: CsCoF₄
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 24
Lattice a, b, c: 7.956 Å7.955 Å6.416 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 406.04 Å³
Density: 4.38 g/cm³

Properties

Curie temperature

24 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.39 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 = -107.7331 eV; energy change = -0.0734 eV; symmetry: P4/nmm → P4/nmm

ARR license

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Size: 1.54 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

24 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.39 TCHGNet
Estimate magnetic moments and Ms from a CIF

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3

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DataData

Overview

template-CsCoF4 - 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