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template-MnSnPd - relaxed

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Version of · via Relax a crystal structure

template-MnSnPd

88

Structure

Formula: MnSnPd
Space group: P-62m (189)
Crystal system: Hexagonal
Atoms per cell: 9
Lattice a, b, c: 7.586 Å7.609 Å3.141 Å
Angles α, β, γ: 90.05°89.94°119.86°
Volume: 157.24 Å³
Density: 8.87 g/cm³

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Structure

Formula: MnSnPd
Space group: P-62m (189)
Crystal system: Hexagonal
Atoms per cell: 9
Lattice a, b, c: 7.586 Å7.609 Å3.141 Å
Angles α, β, γ: 90.05°89.94°119.86°
Volume: 157.24 Å³
Density: 8.87 g/cm³

Properties

Curie temperature

316 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.77 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 = -56.6950 eV; energy change = -2.1633 eV; symmetry: P-62m → P-62m

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Stats

Size: 1000 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

316 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.77 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-MnSnPd - 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