inJun 29

template-Li3Cr2CoO6 - relaxed

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Version of · via Relax a crystal structure

template-Li3Cr2CoO6

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Structure

Formula: Li₃Cr₂CoO₆
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 12
Lattice a, b, c: 2.925 Å2.925 Å14.421 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 106.81 Å³
Density: 4.35 g/cm³

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Structure

Formula: Li₃Cr₂CoO₆
Space group: P-3m1 (164)
Crystal system: Trigonal
Atoms per cell: 12
Lattice a, b, c: 2.925 Å2.925 Å14.421 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 106.81 Å³
Density: 4.35 g/cm³

Properties

Curie temperature

162 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.68 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 = -77.8093 eV; energy change = -0.1657 eV; symmetry: P-3m1 → P-3m1

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Size: 1.09 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

162 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.68 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Li3Cr2CoO6 - 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