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template-Mn12Ge4N3 - relaxed

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Version of · via Relax a crystal structure

template-Mn12Ge4N3

88

Structure

Formula: Mn₁₂Ge₄N₃
Space group: P4/m (83)
Crystal system: Tetragonal
Atoms per cell: 19
Lattice a, b, c: 5.223 Å5.224 Å7.723 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 210.71 Å³
Density: 7.82 g/cm³

Attribution

Connections

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Included in datasets

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Structure

Formula: Mn₁₂Ge₄N₃
Space group: P4/m (83)
Crystal system: Tetragonal
Atoms per cell: 19
Lattice a, b, c: 5.223 Å5.224 Å7.723 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 210.71 Å³
Density: 7.82 g/cm³

Properties

Curie temperature

434 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.90 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 = -157.3661 eV; energy change = -1.7869 eV; symmetry: P4/m → P4/m

ARR license

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Size: 1.38 KB
Type: .cif file
Downloads: 0

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Properties

Curie temperature

434 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.90 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Connections

4

DataData

DataData

Overview

template-Mn12Ge4N3 - 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