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template-Mg3V8FeO16 - relaxed

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Version of · via Relax a crystal structure

template-Mg3V8FeO16

1818

Structure

Formula: Mg₃V₈FeO₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 28
Lattice a, b, c: 10.510 Å10.510 Å10.509 Å
Angles α, β, γ: 33.66°33.66°33.66°
Volume: 317.63 Å³
Density: 4.14 g/cm³

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Structure

Formula: Mg₃V₈FeO₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 28
Lattice a, b, c: 10.510 Å10.510 Å10.509 Å
Angles α, β, γ: 33.66°33.66°33.66°
Volume: 317.63 Å³
Density: 4.14 g/cm³

Properties

Curie temperature

121 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.70 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 = -210.3812 eV; energy change = -0.2912 eV; symmetry: R3m → R3m

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Size: 1.7 KB
Type: .cif file
Downloads: 0

50

Properties

Curie temperature

121 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.70 TCHGNet
Estimate magnetic moments and Ms from a CIF

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2

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DataData

Overview

template-Mg3V8FeO16 - 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