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template-CsFe4As3 - relaxed

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Version of · via Relax a crystal structure

template-CsFe4As3

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Structure

Formula: CsFe₄As₃
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 3.865 Å3.865 Å10.172 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 151.94 Å³
Density: 6.35 g/cm³

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Structure

Formula: CsFe₄As₃
Space group: P4/mmm (123)
Crystal system: Tetragonal
Atoms per cell: 8
Lattice a, b, c: 3.865 Å3.865 Å10.172 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 151.94 Å³
Density: 6.35 g/cm³

Properties

Curie temperature

248 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.35 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 = -49.1468 eV; energy change = -0.0081 eV; symmetry: P4/mmm → P4/mmm

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Stats

Size: 962 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

248 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.35 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-CsFe4As3 - 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