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template-Mn4Cr(Co2Si)5 - relaxed

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Version of · via Relax a crystal structure

template-Mn4Cr(Co2Si)5

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Structure

Formula: Mn₄CrCo₁₀Si₅
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 20
Lattice a, b, c: 16.443 Å16.443 Å16.443 Å
Angles α, β, γ: 13.93°13.93°13.93°
Volume: 224.15 Å³
Density: 7.42 g/cm³

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Structure

Formula: Mn₄CrCo₁₀Si₅
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 20
Lattice a, b, c: 16.443 Å16.443 Å16.443 Å
Angles α, β, γ: 13.93°13.93°13.93°
Volume: 224.15 Å³
Density: 7.42 g/cm³

Properties

Curie temperature

683 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.83 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 = -152.4201 eV; energy change = -0.0016 eV; symmetry: R-3m → R-3m

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Size: 1.43 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

683 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.83 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Mn4Cr(Co2Si)5 - 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