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template-MgCr4(CuS4)2 - relaxed

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Version of · via Relax a crystal structure

template-MgCr4(CuS4)2

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Structure

Formula: MgCr₄Cu₂S₈
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 15
Lattice a, b, c: 7.211 Å7.212 Å7.213 Å
Angles α, β, γ: 58.12°58.13°58.14°
Volume: 253.87 Å³
Density: 4.03 g/cm³

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Structure

Formula: MgCr₄Cu₂S₈
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 15
Lattice a, b, c: 7.211 Å7.212 Å7.213 Å
Angles α, β, γ: 58.12°58.13°58.14°
Volume: 253.87 Å³
Density: 4.03 g/cm³

Properties

Curie temperature

216 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.56 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 = -91.5926 eV; energy change = -0.0009 eV; symmetry: R-3m → R-3m

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Size: 1.21 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

216 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.56 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-MgCr4(CuS4)2 - 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