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template-Li7Mn2N3 - relaxed

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Version of · via Relax a crystal structure

template-Li7Mn2N3

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Structure

Formula: Li₇Mn₂N₃
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 12
Lattice a, b, c: 3.808 Å6.447 Å6.447 Å
Angles α, β, γ: 59.99°90.01°90.00°
Volume: 137.05 Å³
Density: 2.43 g/cm³

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Structure

Formula: Li₇Mn₂N₃
Space group: P6/mmm (191)
Crystal system: Hexagonal
Atoms per cell: 12
Lattice a, b, c: 3.808 Å6.447 Å6.447 Å
Angles α, β, γ: 59.99°90.01°90.00°
Volume: 137.05 Å³
Density: 2.43 g/cm³

Properties

Curie temperature

84 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.59 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 = -60.0833 eV; energy change = -0.0248 eV; symmetry: P6/mmm → P6/mmm

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Size: 1.09 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

84 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.59 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Li7Mn2N3 - 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