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template-Mn2P - relaxed

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Version of · via Relax a crystal structure

template-Mn2P

99

Structure

Formula: Mn₂P
Space group: P-62m (189)
Crystal system: Hexagonal
Atoms per cell: 9
Lattice a, b, c: 6.153 Å6.154 Å3.274 Å
Angles α, β, γ: 90.00°90.00°120.01°
Volume: 107.35 Å³
Density: 6.54 g/cm³

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Structure

Formula: Mn₂P
Space group: P-62m (189)
Crystal system: Hexagonal
Atoms per cell: 9
Lattice a, b, c: 6.153 Å6.154 Å3.274 Å
Angles α, β, γ: 90.00°90.00°120.01°
Volume: 107.35 Å³
Density: 6.54 g/cm³

Properties

Curie temperature

414 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.17 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 = -75.7045 eV; energy change = -0.0817 eV; symmetry: P-62m → P-62m

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9

Stats

Size: 987 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

414 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.17 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

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DataData

DataData

Overview

template-Mn2P - 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