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template-MnGa(CuS2)2 - relaxed

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Version of · via Relax a crystal structure

template-MnGa(CuS2)2

88

Structure

Formula: MnGaCu₂S₄
Space group: I-4 (82)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 6.571 Å6.571 Å6.571 Å
Angles α, β, γ: 132.15°132.16°69.99°
Volume: 152.89 Å³
Density: 4.13 g/cm³

Attribution

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Included in datasets

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Structure

Formula: MnGaCu₂S₄
Space group: I-4 (82)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 6.571 Å6.571 Å6.571 Å
Angles α, β, γ: 132.15°132.16°69.99°
Volume: 152.89 Å³
Density: 4.13 g/cm³

Properties

Curie temperature

169 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.30 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 = -40.9578 eV; energy change = -0.7900 eV; symmetry: I-4 → I-4

ARR license

8

Stats

Size: 961 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

169 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.30 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

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DataData

Overview

template-MnGa(CuS2)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