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template-Cs3Fe2F9 - relaxed

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Version of · via Relax a crystal structure

template-Cs3Fe2F9

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Structure

Formula: Cs₃Fe₂F₉
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 28
Lattice a, b, c: 6.490 Å6.490 Å15.080 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 550.06 Å³
Density: 4.11 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: Cs₃Fe₂F₉
Space group: P6_3/mmc (194)
Crystal system: Hexagonal
Atoms per cell: 28
Lattice a, b, c: 6.490 Å6.490 Å15.080 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 550.06 Å³
Density: 4.11 g/cm³

Properties

Curie temperature

43 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.43 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 = -136.7027 eV; energy change = -0.3047 eV; symmetry: P6_3/mmc → P6_3/mmc

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Size: 1.7 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

43 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.43 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

CIF calculated properties

DataData

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Overview

template-Cs3Fe2F9 - 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