inJun 28

template-Cr8Co3NiS16 - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-Cr8Co3NiS16

1010

Structure

Formula: Cr₈Co₃NiS₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 28
Lattice a, b, c: 11.882 Å11.882 Å11.882 Å
Angles α, β, γ: 33.87°33.87°33.87°
Volume: 464.19 Å³
Density: 4.17 g/cm³

Attribution

Connections

1

Included in datasets

CIF calculated properties

Actions

Structure

Formula: Cr₈Co₃NiS₁₆
Space group: R3m (160)
Crystal system: Trigonal
Atoms per cell: 28
Lattice a, b, c: 11.882 Å11.882 Å11.882 Å
Angles α, β, γ: 33.87°33.87°33.87°
Volume: 464.19 Å³
Density: 4.17 g/cm³

Properties

Curie temperature

243 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.64 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 = -186.1024 eV; energy change = -0.0182 eV; symmetry: R3m → R3m

ARR license

10

Stats

Size: 1.71 KB
Type: .cif file
Downloads: 0

Join to comment

Properties

Curie temperature

243 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.64 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Connections

1

Included in datasets

CIF calculated properties

DataData

DataData

Overview

template-Cr8Co3NiS16 - 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