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template-Sr3MgCr2S2O5 - relaxed 1

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Version of · via Relax a crystal structure

template-Sr3MgCr2S2O5

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Structure

Formula: Sr₃MgCr₂S₂O₅
Space group: I-4m2 (119)
Crystal system: Tetragonal
Atoms per cell: 13
Lattice a, b, c: 13.821 Å13.821 Å13.821 Å
Angles α, β, γ: 163.50°163.50°23.42°
Volume: 212.88 Å³
Density: 4.17 g/cm³

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Structure

Formula: Sr₃MgCr₂S₂O₅
Space group: I-4m2 (119)
Crystal system: Tetragonal
Atoms per cell: 13
Lattice a, b, c: 13.821 Å13.821 Å13.821 Å
Angles α, β, γ: 163.50°163.50°23.42°
Volume: 212.88 Å³
Density: 4.17 g/cm³

Properties

Curie temperature

176 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.33 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 = -82.4375 eV; energy change = 0.0000 eV; symmetry: I-4m2 → I-4m2

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Size: 1.14 KB
Type: .cif file
Downloads: 0

50

Properties

Curie temperature

176 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.33 TCHGNet
Estimate magnetic moments and Ms from a CIF

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2

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Overview

template-Sr3MgCr2S2O5 - 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