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template-V2SbTe - relaxed

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Overview

Version of · via Relax a crystal structure

template-V2SbTe

88

Structure

Formula: V₂SbTe
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 4
Lattice a, b, c: 4.119 Å4.120 Å5.844 Å
Angles α, β, γ: 90.00°90.00°119.99°
Volume: 85.91 Å³
Density: 6.79 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: V₂SbTe
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 4
Lattice a, b, c: 4.119 Å4.120 Å5.844 Å
Angles α, β, γ: 90.00°90.00°119.99°
Volume: 85.91 Å³
Density: 6.79 g/cm³

Properties

Curie temperature

133 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.34 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 = -25.7750 eV; energy change = -0.2086 eV; symmetry: P-6m2 → P-6m2

ARR license

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Stats

Size: 792 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

133 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.34 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

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Connections

1

Included in datasets

CIF calculated properties

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Overview

template-V2SbTe - 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