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template-Li2VF4 - relaxed

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Version of · via Relax a crystal structure

template-Li2VF4

1717

Structure

Formula: Li₂VF₄
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 7
Lattice a, b, c: 5.381 Å5.381 Å5.381 Å
Angles α, β, γ: 134.37°134.37°66.51°
Volume: 78.34 Å³
Density: 2.98 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: Li₂VF₄
Space group: I4/mmm (139)
Crystal system: Tetragonal
Atoms per cell: 7
Lattice a, b, c: 5.381 Å5.381 Å5.381 Å
Angles α, β, γ: 134.37°134.37°66.51°
Volume: 78.34 Å³
Density: 2.98 g/cm³

Properties

Curie temperature

92 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.42 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 = -38.1995 eV; energy change = 0.0000 eV; symmetry: I4/mmm → I4/mmm

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Size: 902 B
Type: .cif file
Downloads: 0

50

Properties

Curie temperature

92 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.42 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

CIF calculated properties

DataData

DataData

Overview

template-Li2VF4 - 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