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template-Li3TiFe3S8 - relaxed

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Version of · via Relax a crystal structure

template-Li3TiFe3S8

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Structure

Formula: Li₃TiFe₃S₈
Space group: P6_3mc (186)
Crystal system: Hexagonal
Atoms per cell: 30
Lattice a, b, c: 6.858 Å6.858 Å11.016 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 448.70 Å³
Density: 3.65 g/cm³

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Structure

Formula: Li₃TiFe₃S₈
Space group: P6_3mc (186)
Crystal system: Hexagonal
Atoms per cell: 30
Lattice a, b, c: 6.858 Å6.858 Å11.016 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 448.70 Å³
Density: 3.65 g/cm³

Properties

Curie temperature

220 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.16 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 = -166.9107 eV; energy change = -40.6956 eV; symmetry: P6_3mc → P6_3mc

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Size: 1.79 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

220 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.16 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-Li3TiFe3S8 - 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