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template-Li3Mn7O16 - relaxed

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Version of · via Relax a crystal structure

template-Li3Mn7O16

99

Structure

Formula: Li₃Mn₇O₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 26
Lattice a, b, c: 10.105 Å10.106 Å10.106 Å
Angles α, β, γ: 33.61°33.61°33.61°
Volume: 281.74 Å³
Density: 3.90 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: Li₃Mn₇O₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 26
Lattice a, b, c: 10.105 Å10.106 Å10.106 Å
Angles α, β, γ: 33.61°33.61°33.61°
Volume: 281.74 Å³
Density: 3.90 g/cm³

Properties

Curie temperature

195 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.99 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 = -175.0669 eV; energy change = -0.0224 eV; symmetry: R3m → R3m

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Size: 1.63 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

195 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.99 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-Li3Mn7O16 - 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