inJun 29

template-CsFeSb - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-CsFeSb

77

Structure

Formula: CsFeSb
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 4.468 Å4.468 Å9.587 Å
Angles α, β, γ: 89.95°90.01°89.95°
Volume: 191.38 Å³
Density: 5.39 g/cm³

Attribution

Connections

2

Included in datasets

Actions

Structure

Formula: CsFeSb
Space group: P4/nmm (129)
Crystal system: Tetragonal
Atoms per cell: 6
Lattice a, b, c: 4.468 Å4.468 Å9.587 Å
Angles α, β, γ: 89.95°90.01°89.95°
Volume: 191.38 Å³
Density: 5.39 g/cm³

Properties

Curie temperature

165 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.34 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 = -26.5730 eV; energy change = -0.3705 eV; symmetry: P4/nmm → P4/nmm

ARR license

7

Stats

Size: 877 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

165 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.34 TCHGNet
Estimate magnetic moments and Ms from a CIF

Join to comment

50

Connections

2

DataData

DataData

Overview

template-CsFeSb - 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