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template-VSb2 - relaxed

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Version of · via Relax a crystal structure

template-VSb2

88

Structure

Formula: VSb₂
Space group: I4/mcm (140)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 5.436 Å5.434 Å5.436 Å
Angles α, β, γ: 105.37°105.39°118.01°
Volume: 121.52 Å³
Density: 8.05 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: VSb₂
Space group: I4/mcm (140)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 5.436 Å5.434 Å5.436 Å
Angles α, β, γ: 105.37°105.39°118.01°
Volume: 121.52 Å³
Density: 8.05 g/cm³

Properties

Curie temperature

80 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.12 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 = -35.0904 eV; energy change = -0.0356 eV; symmetry: I4/mcm → I4/mcm

ARR license

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Stats

Size: 864 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

80 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.12 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-VSb2 - 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