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template-Cs2CrCl4 - relaxed

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Version of · via Relax a crystal structure

template-Cs2CrCl4

55

Structure

Formula: Cs₂CrCl₄
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 7
Lattice a, b, c: 5.166 Å5.166 Å9.212 Å
Angles α, β, γ: 106.28°106.28°90.00°
Volume: 225.68 Å³
Density: 3.38 g/cm³

Attribution

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Included in datasets

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Structure

Formula: Cs₂CrCl₄
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 7
Lattice a, b, c: 5.166 Å5.166 Å9.212 Å
Angles α, β, γ: 106.28°106.28°90.00°
Volume: 225.68 Å³
Density: 3.38 g/cm³

Properties

Curie temperature

73 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.20 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 = -29.7728 eV; energy change = -0.0104 eV; symmetry: I4/mmm → I4/mmm

ARR license

5

Stats

Size: 922 B
Type: .cif file
Downloads: 0

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Properties

Curie temperature

73 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.20 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Connections

2

DataData

DataData

Overview

template-Cs2CrCl4 - 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