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template-CaMn3Zn3RuO12 - relaxed

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Version of · via Relax a crystal structure

template-CaMn3Zn3RuO12

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Structure

Formula: CaMn₃Zn₃RuO₁₂
Space group: R-3 (148)
Crystal system: Trigonal
Atoms per cell: 20
Lattice a, b, c: 6.430 Å6.492 Å6.491 Å
Angles α, β, γ: 70.41°109.33°70.70°
Volume: 209.07 Å³
Density: 5.51 g/cm³

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Structure

Formula: CaMn₃Zn₃RuO₁₂
Space group: R-3 (148)
Crystal system: Trigonal
Atoms per cell: 20
Lattice a, b, c: 6.430 Å6.492 Å6.491 Å
Angles α, β, γ: 70.41°109.33°70.70°
Volume: 209.07 Å³
Density: 5.51 g/cm³

Properties

Curie temperature

181 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.65 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 = -125.8526 eV; energy change = -0.9543 eV; symmetry: R-3 → R-3

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

Properties

Curie temperature

181 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.65 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-CaMn3Zn3RuO12 - 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