inJun 29

template-Co3(OF2)2 - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-Co3(OF2)2

88

Structure

Formula: Co₃O₂F₄
Space group: P4_2/mnm (136)
Crystal system: Tetragonal
Atoms per cell: 18
Lattice a, b, c: 4.656 Å4.656 Å9.216 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 199.81 Å³
Density: 4.73 g/cm³

Attribution

Connections

2

Included in datasets

Actions

Structure

Formula: Co₃O₂F₄
Space group: P4_2/mnm (136)
Crystal system: Tetragonal
Atoms per cell: 18
Lattice a, b, c: 4.656 Å4.656 Å9.216 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 199.81 Å³
Density: 4.73 g/cm³

Properties

Curie temperature

186 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.08 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 = -93.7875 eV; energy change = -0.3869 eV; symmetry: P4_2/mnm → P4_2/mnm

ARR license

8

Stats

Size: 1.31 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

186 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.08 TCHGNet
Estimate magnetic moments and Ms from a CIF

Join to comment

50

Connections

2

DataData

DataData

Overview

template-Co3(OF2)2 - 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