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template-NaMn2O4 - relaxed

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Version of · via Relax a crystal structure

template-NaMn2O4

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Structure

Formula: NaMn₂O₄
Space group: I4_1/amd (141)
Crystal system: Tetragonal
Atoms per cell: 14
Lattice a, b, c: 6.230 Å6.230 Å6.230 Å
Angles α, β, γ: 122.08°122.08°86.44°
Volume: 165.26 Å³
Density: 3.96 g/cm³

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Structure

Formula: NaMn₂O₄
Space group: I4_1/amd (141)
Crystal system: Tetragonal
Atoms per cell: 14
Lattice a, b, c: 6.230 Å6.230 Å6.230 Å
Angles α, β, γ: 122.08°122.08°86.44°
Volume: 165.26 Å³
Density: 3.96 g/cm³

Properties

Curie temperature

160 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.12 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 = -93.5585 eV; energy change = -0.0019 eV; symmetry: I4_1/amd → I4_1/amd

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

Properties

Curie temperature

160 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.12 TCHGNet
Estimate magnetic moments and Ms from a CIF

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2

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Overview

template-NaMn2O4 - 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