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template-CsMnCl3 - relaxed

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Version of · via Relax a crystal structure

template-CsMnCl3

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Structure

Formula: CsMnCl₃
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 15
Lattice a, b, c: 10.186 Å10.186 Å10.186 Å
Angles α, β, γ: 42.66°42.66°42.66°
Volume: 439.52 Å³
Density: 3.33 g/cm³

Attribution

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CIF calculated properties

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Structure

Formula: CsMnCl₃
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 15
Lattice a, b, c: 10.186 Å10.186 Å10.186 Å
Angles α, β, γ: 42.66°42.66°42.66°
Volume: 439.52 Å³
Density: 3.33 g/cm³

Properties

Curie temperature

118 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.34 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 = -69.0939 eV; energy change = -0.0386 eV; symmetry: R-3m → R-3m

ARR license

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Size: 1.22 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

118 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.34 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-CsMnCl3 - 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