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template-Mg2MnW3Se8 - relaxed

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Version of · via Relax a crystal structure

template-Mg2MnW3Se8

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Structure

Formula: Mg₂MnW₃Se₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 7.176 Å7.904 Å7.176 Å
Angles α, β, γ: 62.98°60.00°62.98°
Volume: 300.06 Å³
Density: 7.12 g/cm³

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Structure

Formula: Mg₂MnW₃Se₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 7.176 Å7.904 Å7.176 Å
Angles α, β, γ: 62.98°60.00°62.98°
Volume: 300.06 Å³
Density: 7.12 g/cm³

Properties

Curie temperature

80 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.16 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 = -86.9267 eV; energy change = -3.3762 eV; symmetry: R3m → R3m

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Size: 1.17 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

80 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.16 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Mg2MnW3Se8 - 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