inJun 29

template-KFeO2 - relaxed

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Version of · via Relax a crystal structure

template-KFeO2

1414

Structure

Formula: KFeO₂
Space group: I-4m2 (119)
Crystal system: Tetragonal
Atoms per cell: 16
Lattice a, b, c: 7.453 Å7.454 Å7.455 Å
Angles α, β, γ: 128.89°128.88°75.19°
Volume: 244.30 Å³
Density: 3.45 g/cm³

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Structure

Formula: KFeO₂
Space group: I-4m2 (119)
Crystal system: Tetragonal
Atoms per cell: 16
Lattice a, b, c: 7.453 Å7.454 Å7.455 Å
Angles α, β, γ: 128.89°128.88°75.19°
Volume: 244.30 Å³
Density: 3.45 g/cm³

Properties

Curie temperature

332 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.92 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 = -88.3641 eV; energy change = -1.8128 eV; symmetry: I-4m2 → I-4m2

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Size: 1.22 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

332 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.92 TCHGNet
Estimate magnetic moments and Ms from a CIF

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Overview

template-KFeO2 - 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