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template-Rb3CoCl5 - relaxed

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Version of · via Relax a crystal structure

template-Rb3CoCl5

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Structure

Formula: Rb₃CoCl₅
Space group: I4/mcm (140)
Crystal system: Tetragonal
Atoms per cell: 18
Lattice a, b, c: 9.005 Å9.005 Å9.580 Å
Angles α, β, γ: 118.03°118.03°90.00°
Volume: 580.38 Å³
Density: 2.82 g/cm³

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Structure

Formula: Rb₃CoCl₅
Space group: I4/mcm (140)
Crystal system: Tetragonal
Atoms per cell: 18
Lattice a, b, c: 9.005 Å9.005 Å9.580 Å
Angles α, β, γ: 118.03°118.03°90.00°
Volume: 580.38 Å³
Density: 2.82 g/cm³

Properties

Curie temperature

152 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.10 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 = -65.8978 eV; energy change = -0.1263 eV; symmetry: I4/mcm → I4/mcm

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Size: 1.34 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

152 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.10 TCHGNet
Estimate magnetic moments and Ms from a CIF

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DataData

Overview

template-Rb3CoCl5 - 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