inJun 29

template-K(FeO2)4 - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-K(FeO2)4

1010

Structure

Formula: KFe₄O₈
Space group: I4/m (87)
Crystal system: Tetragonal
Atoms per cell: 13
Lattice a, b, c: 7.245 Å7.245 Å7.245 Å
Angles α, β, γ: 92.53°92.52°155.75°
Volume: 152.70 Å³
Density: 4.25 g/cm³

Attribution

Connections

1

Included in datasets

CIF calculated properties

Actions

Structure

Formula: KFe₄O₈
Space group: I4/m (87)
Crystal system: Tetragonal
Atoms per cell: 13
Lattice a, b, c: 7.245 Å7.245 Å7.245 Å
Angles α, β, γ: 92.53°92.52°155.75°
Volume: 152.70 Å³
Density: 4.25 g/cm³

Properties

Curie temperature

553 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.31 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 = -79.1894 eV; energy change = -0.0705 eV; symmetry: I4/m → I4/m

ARR license

10

Stats

Size: 1.12 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

553 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.31 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Join to comment

Connections

1

Included in datasets

CIF calculated properties

DataData

DataData

Overview

template-K(FeO2)4 - 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