inJun 29

template-V4FeSb4 - relaxed 1

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Version of · via Relax a crystal structure

template-V4FeSb4

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Structure

Formula: V₄FeSb₄
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 9
Lattice a, b, c: 4.270 Å4.270 Å10.797 Å
Angles α, β, γ: 90.00°90.00°60.00°
Volume: 170.50 Å³
Density: 7.27 g/cm³

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Structure

Formula: V₄FeSb₄
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 9
Lattice a, b, c: 4.270 Å4.270 Å10.797 Å
Angles α, β, γ: 90.00°90.00°60.00°
Volume: 170.50 Å³
Density: 7.27 g/cm³

Properties

Curie temperature

171 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.25 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 = -61.4480 eV; energy change = -0.0457 eV; symmetry: P-6m2 → P-6m2

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Stats

Size: 990 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

171 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.25 TCHGNet
Estimate magnetic moments and Ms from a CIF

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DataData

Overview

template-V4FeSb4 - relaxed 1

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