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template-Ti8Co3NiSn4 - relaxed

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Version of · via Relax a crystal structure

template-Ti8Co3NiSn4

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Structure

Formula: Ti₈Co₃NiSn₄
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 16
Lattice a, b, c: 17.163 Å17.148 Å17.157 Å
Angles α, β, γ: 14.51°14.44°14.47°
Volume: 274.54 Å³
Density: 6.61 g/cm³

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Structure

Formula: Ti₈Co₃NiSn₄
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 16
Lattice a, b, c: 17.163 Å17.148 Å17.157 Å
Angles α, β, γ: 14.51°14.44°14.47°
Volume: 274.54 Å³
Density: 6.61 g/cm³

Properties

Curie temperature

199 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.03 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 = -109.8613 eV; energy change = -0.9067 eV; symmetry: R-3m → R3m

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Size: 1.27 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

199 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.03 TCHGNet
Estimate magnetic moments and Ms from a CIF

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DataData

Overview

template-Ti8Co3NiSn4 - 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