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template-Li2Mn3NiO8 1 - relaxed

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Version of · via Relax a crystal structure

template-Li2Mn3NiO8 1

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Structure

Formula: Li₂Mn₃NiO₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 5.904 Å5.904 Å5.904 Å
Angles α, β, γ: 59.10°59.10°59.10°
Volume: 142.50 Å³
Density: 4.26 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: Li₂Mn₃NiO₈
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 14
Lattice a, b, c: 5.904 Å5.904 Å5.904 Å
Angles α, β, γ: 59.10°59.10°59.10°
Volume: 142.50 Å³
Density: 4.26 g/cm³

Properties

Curie temperature

188 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.97 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 = -89.5571 eV; energy change = -0.0044 eV; symmetry: R3m → R3m

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

Properties

Curie temperature

188 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.97 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

CIF calculated properties

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Overview

template-Li2Mn3NiO8 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