inJun 28

template-Mg14MnCr - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-Mg14MnCr

1313

Structure

Formula: Mg₁₄MnCr
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 16
Lattice a, b, c: 6.311 Å6.311 Å10.028 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 345.85 Å³
Density: 2.15 g/cm³

Attribution

Connections

2

Included in datasets

Actions

Structure

Formula: Mg₁₄MnCr
Space group: P-6m2 (187)
Crystal system: Hexagonal
Atoms per cell: 16
Lattice a, b, c: 6.311 Å6.311 Å10.028 Å
Angles α, β, γ: 90.00°90.00°120.00°
Volume: 345.85 Å³
Density: 2.15 g/cm³

Properties

Curie temperature

39 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.26 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 = -39.1928 eV; energy change = -0.0025 eV; symmetry: P-6m2 → P-6m2

ARR license

13

Stats

Size: 1.26 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

39 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.26 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Join to comment

Connections

2

DataData

DataData

Overview

template-Mg14MnCr - 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