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template-ZnCr8Cu3Te16 - relaxed

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Version of · via Relax a crystal structure

template-ZnCr8Cu3Te16

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Structure

Formula: ZnCr₈Cu₃Te₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 28
Lattice a, b, c: 13.761 Å13.761 Å13.761 Å
Angles α, β, γ: 33.67°33.67°33.67°
Volume: 713.66 Å³
Density: 6.31 g/cm³

Attribution

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Included in datasets

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Structure

Formula: ZnCr₈Cu₃Te₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 28
Lattice a, b, c: 13.761 Å13.761 Å13.761 Å
Angles α, β, γ: 33.67°33.67°33.67°
Volume: 713.66 Å³
Density: 6.31 g/cm³

Properties

Curie temperature

213 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.42 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 = -147.2220 eV; energy change = -8.3722 eV; symmetry: R3m → R3m

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Size: 1.75 KB
Type: .cif file
Downloads: 0

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Properties

Curie temperature

213 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.42 TCHGNet
Estimate magnetic moments and Ms from a CIF

Connections

3

DataData

DataData

Overview

template-ZnCr8Cu3Te16 - 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