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template-VCo3 - relaxed

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Overview

Version of · via Relax a crystal structure

template-VCo3

1616

Structure

Formula: VCo₃
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 4
Lattice a, b, c: 8.384 Å8.384 Å8.384 Å
Angles α, β, γ: 17.35°17.35°17.35°
Volume: 45.72 Å³
Density: 8.27 g/cm³

Attribution

Connections

2

Included in datasets

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Structure

Formula: VCo₃
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 4
Lattice a, b, c: 8.384 Å8.384 Å8.384 Å
Angles α, β, γ: 17.35°17.35°17.35°
Volume: 45.72 Å³
Density: 8.27 g/cm³

Properties

Curie temperature

584 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.11 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 = -30.2037 eV; energy change = -0.0008 eV; symmetry: R-3m → R-3m

ARR license

16

Stats

Size: 783 B
Type: .cif file
Downloads: 0

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Properties

Curie temperature

584 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.11 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Connections

2

DataData

DataData

Overview

template-VCo3 - 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