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template-VFe3 - relaxed

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Overview

Version of · via Relax a crystal structure

template-VFe3

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Structure

Formula: VFe₃
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 4
Lattice a, b, c: 8.542 Å8.541 Å8.542 Å
Angles α, β, γ: 16.89°16.89°16.89°
Volume: 45.88 Å³
Density: 7.91 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: VFe₃
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 4
Lattice a, b, c: 8.542 Å8.541 Å8.542 Å
Angles α, β, γ: 16.89°16.89°16.89°
Volume: 45.88 Å³
Density: 7.91 g/cm³

Properties

Curie temperature

493 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.61 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 = -33.9817 eV; energy change = -0.0097 eV; symmetry: R-3m → R-3m

ARR license

5

Stats

Size: 782 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

493 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.61 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

CIF calculated properties

DataData

DataData

Overview

template-VFe3 - 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