inJun 29

template-Zn2CoSe3 - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-Zn2CoSe3

1414

Structure

Formula: Zn₂CoSe₃
Space group: P3m1 (156)
Crystal system: Trigonal
Atoms per cell: 6
Lattice a, b, c: 3.996 Å3.996 Å9.818 Å
Angles α, β, γ: 89.99°90.01°120.01°
Volume: 135.76 Å³
Density: 5.22 g/cm³

Attribution

Connections

2

Included in datasets

Actions

Structure

Formula: Zn₂CoSe₃
Space group: P3m1 (156)
Crystal system: Trigonal
Atoms per cell: 6
Lattice a, b, c: 3.996 Å3.996 Å9.818 Å
Angles α, β, γ: 89.99°90.01°120.01°
Volume: 135.76 Å³
Density: 5.22 g/cm³

Properties

Curie temperature

147 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.13 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 = -22.7120 eV; energy change = -0.7197 eV; symmetry: P3m1 → P3m1

ARR license

14

Stats

Size: 880 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

147 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.13 TCHGNet
Estimate magnetic moments and Ms from a CIF

Join to comment

50

Connections

2

DataData

DataData

Overview

template-Zn2CoSe3 - 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