inJun 29

template-Fe3CoO8 - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-Fe3CoO8

77

Structure

Formula: Fe₃CoO₈
Space group: P6_3mc (186)
Crystal system: Hexagonal
Atoms per cell: 24
Lattice a, b, c: 5.924 Å5.923 Å8.630 Å
Angles α, β, γ: 89.99°89.99°120.03°
Volume: 262.20 Å³
Density: 4.49 g/cm³

Attribution

Connections

2

Included in datasets

Actions

Structure

Formula: Fe₃CoO₈
Space group: P6_3mc (186)
Crystal system: Hexagonal
Atoms per cell: 24
Lattice a, b, c: 5.924 Å5.923 Å8.630 Å
Angles α, β, γ: 89.99°89.99°120.03°
Volume: 262.20 Å³
Density: 4.49 g/cm³

Properties

Curie temperature

579 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.25 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 = -143.2822 eV; energy change = -0.4327 eV; symmetry: P6_3mc → P6_3mc

ARR license

7

Stats

Size: 1.54 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

579 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.25 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Join to comment

Connections

2

DataData

DataData

Overview

template-Fe3CoO8 - 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