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template-Zr3Fe8Mo - relaxed

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Version of · via Relax a crystal structure

template-Zr3Fe8Mo

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Structure

Formula: Zr₃Fe₈Mo
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 12
Lattice a, b, c: 8.515 Å8.515 Å8.515 Å
Angles α, β, γ: 33.54°33.54°33.54°
Volume: 167.87 Å³
Density: 8.07 g/cm³

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Structure

Formula: Zr₃Fe₈Mo
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 12
Lattice a, b, c: 8.515 Å8.515 Å8.515 Å
Angles α, β, γ: 33.54°33.54°33.54°
Volume: 167.87 Å³
Density: 8.07 g/cm³

Properties

Curie temperature

469 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.93 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 = -106.2737 eV; energy change = -0.0049 eV; symmetry: R3m → R3m

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Size: 1.09 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

469 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.93 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Zr3Fe8Mo - 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