inJun 29

template-Ni2P - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-Ni2P

55

Structure

Formula: Ni₂P
Space group: P-62m (189)
Crystal system: Hexagonal
Atoms per cell: 9
Lattice a, b, c: 5.862 Å5.865 Å3.374 Å
Angles α, β, γ: 89.99°90.01°119.98°
Volume: 100.48 Å³
Density: 7.36 g/cm³

Attribution

Connections

2

Included in datasets

Actions

Structure

Formula: Ni₂P
Space group: P-62m (189)
Crystal system: Hexagonal
Atoms per cell: 9
Lattice a, b, c: 5.862 Å5.865 Å3.374 Å
Angles α, β, γ: 89.99°90.01°119.98°
Volume: 100.48 Å³
Density: 7.36 g/cm³

Properties

Curie temperature

118 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.01 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 = -55.2213 eV; energy change = -0.1898 eV; symmetry: P-62m → P-62m

ARR license

5

Stats

Size: 983 B
Type: .cif file
Downloads: 0

Properties

Curie temperature

118 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.01 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Join to comment

Connections

2

DataData

DataData

Overview

template-Ni2P - 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