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template-LiNbFeO4 - relaxed

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Version of · via Relax a crystal structure

template-LiNbFeO4

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Structure

Formula: LiNbFeO₄
Space group: P4_322 (95)
Crystal system: Tetragonal
Atoms per cell: 28
Lattice a, b, c: 6.287 Å6.287 Å8.409 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 332.44 Å³
Density: 4.39 g/cm³

Attribution

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Included in datasets

CIF calculated properties

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Structure

Formula: LiNbFeO₄
Space group: P4_322 (95)
Crystal system: Tetragonal
Atoms per cell: 28
Lattice a, b, c: 6.287 Å6.287 Å8.409 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 332.44 Å³
Density: 4.39 g/cm³

Properties

Curie temperature

260 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.55 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 = -210.6828 eV; energy change = -0.0136 eV; symmetry: P4_322 → P4_322

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Size: 1.71 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

260 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.55 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Connections

1

Included in datasets

CIF calculated properties

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Overview

template-LiNbFeO4 - 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