inJun 29

template-MnIn(CuSe2)2 - relaxed

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Version of · via Relax a crystal structure

template-MnIn(CuSe2)2

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Structure

Formula: MnInCu₂Se₄
Space group: I-4 (82)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 7.074 Å7.074 Å7.074 Å
Angles α, β, γ: 132.14°132.14°70.01°
Volume: 190.86 Å³
Density: 5.33 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: MnInCu₂Se₄
Space group: I-4 (82)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 7.074 Å7.074 Å7.074 Å
Angles α, β, γ: 132.14°132.14°70.01°
Volume: 190.86 Å³
Density: 5.33 g/cm³

Properties

Curie temperature

128 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.24 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 = -37.0467 eV; energy change = -0.5810 eV; symmetry: I-4 → I-4

ARR license

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Size: 971 B
Type: .cif file
Downloads: 0

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Properties

Curie temperature

128 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.24 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Connections

1

Included in datasets

CIF calculated properties

DataData

DataData

Overview

template-MnIn(CuSe2)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