inJun 28

template-Cr2Se3 1 - relaxed

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Version of · via Relax a crystal structure

template-Cr2Se3 1

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Structure

Formula: Cr₂Se₃
Space group: P-31c (163)
Crystal system: Trigonal
Atoms per cell: 20
Lattice a, b, c: 6.347 Å6.348 Å11.784 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 411.18 Å³
Density: 5.51 g/cm³

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Structure

Formula: Cr₂Se₃
Space group: P-31c (163)
Crystal system: Trigonal
Atoms per cell: 20
Lattice a, b, c: 6.347 Å6.348 Å11.784 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 411.18 Å³
Density: 5.51 g/cm³

Properties

Curie temperature

180 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.67 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 = -129.4237 eV; energy change = -0.0113 eV; symmetry: P-31c → P-31c

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Size: 1.41 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

180 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.67 TCHGNet
Estimate magnetic moments and Ms from a CIF

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DataData

Overview

template-Cr2Se3 1 - 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