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template-LiMg2Mn3O8 - relaxed

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Version of · via Relax a crystal structure

template-LiMg2Mn3O8

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Structure

Formula: LiMg₂Mn₃O₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 5.956 Å5.956 Å5.956 Å
Angles α, β, γ: 59.98°59.98°59.98°
Volume: 149.32 Å³
Density: 3.87 g/cm³

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Structure

Formula: LiMg₂Mn₃O₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 5.956 Å5.956 Å5.956 Å
Angles α, β, γ: 59.98°59.98°59.98°
Volume: 149.32 Å³
Density: 3.87 g/cm³

Properties

Curie temperature

180 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.85 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 = -93.9706 eV; energy change = -0.0015 eV; symmetry: R3m → R3m

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Size: 1.16 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

180 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.85 TCHGNet
Estimate magnetic moments and Ms from a CIF

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3

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Overview

template-LiMg2Mn3O8 - 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