inJun 29

template-LiFe6Sn5 - relaxed

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Version of · via Relax a crystal structure

template-LiFe6Sn5

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Structure

Formula: LiFe₆Sn₅
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 24
Lattice a, b, c: 16.091 Å16.091 Å16.091 Å
Angles α, β, γ: 19.17°19.17°19.17°
Volume: 392.61 Å³
Density: 7.91 g/cm³

Attribution

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Structure

Formula: LiFe₆Sn₅
Space group: R-3m (166)
Crystal system: Trigonal
Atoms per cell: 24
Lattice a, b, c: 16.091 Å16.091 Å16.091 Å
Angles α, β, γ: 19.17°19.17°19.17°
Volume: 392.61 Å³
Density: 7.91 g/cm³

Properties

Curie temperature

360 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.81 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 = -146.0137 eV; energy change = -7.6672 eV; symmetry: R-3m → R-3m

ARR license

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Size: 1.58 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

360 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.81 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

2

DataData

DataData

Overview

template-LiFe6Sn5 - 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