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template-Mg7Mn 1 - relaxed

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Overview

Version of · via Relax a crystal structure

template-Mg7Mn 1

88

Structure

Formula: Mg₇Mn
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 8
Lattice a, b, c: 6.294 Å6.294 Å5.003 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 171.63 Å³
Density: 2.18 g/cm³

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Included in datasets

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Structure

Formula: Mg₇Mn
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 8
Lattice a, b, c: 6.294 Å6.294 Å5.003 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 171.63 Å³
Density: 2.18 g/cm³

Properties

Curie temperature

56 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.26 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 = -19.4975 eV; energy change = -0.0999 eV; symmetry: P-6m2 → P-6m2

ARR license

8

Stats

Size: 950 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

56 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.26 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

2

DataData

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Overview

template-Mg7Mn 1 - 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