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template-Zr3Mn - relaxed

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Overview

Version of · via Relax a crystal structure

template-Zr3Mn

99

Structure

Formula: Zr₃Mn
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 4
Lattice a, b, c: 5.455 Å5.455 Å5.455 Å
Angles α, β, γ: 133.43°133.43°67.97°
Volume: 84.11 Å³
Density: 6.49 g/cm³

Attribution

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Structure

Formula: Zr₃Mn
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 4
Lattice a, b, c: 5.455 Å5.455 Å5.455 Å
Angles α, β, γ: 133.43°133.43°67.97°
Volume: 84.11 Å³
Density: 6.49 g/cm³

Properties

Curie temperature

162 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.33 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 = -34.2153 eV; energy change = 0.0000 eV; symmetry: I4/mmm → I4/mmm

ARR license

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Stats

Size: 788 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

162 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.33 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

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Connections

2

DataData

DataData

Overview

template-Zr3Mn - 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