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template-Mg3Cr8CoO16 6 - relaxed

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Version of · via Relax a crystal structure

template-Mg3Cr8CoO16 6

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Structure

Formula: Mg₃Cr₈CoO₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 28
Lattice a, b, c: 10.375 Å10.375 Å10.375 Å
Angles α, β, γ: 33.65°33.65°33.65°
Volume: 305.50 Å³
Density: 4.37 g/cm³

Attribution

Derived

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Results

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Mg3Cr8CoO16 phase diagram 6.html
Calculate energy above the convex hull

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Included in datasets

CIF calculated properties

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Structure

Formula: Mg₃Cr₈CoO₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 28
Lattice a, b, c: 10.375 Å10.375 Å10.375 Å
Angles α, β, γ: 33.65°33.65°33.65°
Volume: 305.50 Å³
Density: 4.37 g/cm³

Properties

Curie temperature

124 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.02 TCHGNet
Estimate magnetic moments and Ms from a CIF

Attribution

ARR license

Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -209.7186 eV; energy change = -0.0190 eV; symmetry: R3m → R3m

9

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Size: 1.71 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

124 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.02 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

CIF calculated properties

DataData

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Overview

Derived

Results

template-Mg3Cr8CoO16 6 - relaxed

Overview

Structure

Attribution

Derived

Results

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