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template-Sr4MgV2(SO3)2 - relaxed

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Version of · via Relax a crystal structure

template-Sr4MgV2(SO3)2

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Structure

Formula: Sr₄MgV₂S₂O₆
Space group: P-4m2 (115)
Crystal system: Tetragonal
Atoms per cell: 15
Lattice a, b, c: 3.965 Å3.965 Å15.987 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 251.35 Å³
Density: 4.21 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: Sr₄MgV₂S₂O₆
Space group: P-4m2 (115)
Crystal system: Tetragonal
Atoms per cell: 15
Lattice a, b, c: 3.965 Å3.965 Å15.987 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 251.35 Å³
Density: 4.21 g/cm³

Properties

Curie temperature

103 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.17 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 = -95.4496 eV; energy change = -0.0923 eV; symmetry: P-4m2 → P-4m2

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Size: 1.22 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

103 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.17 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

CIF calculated properties

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Overview

template-Sr4MgV2(SO3)2 - 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