inJun 28

template-LiMn8O16 - relaxed

Data Docs Logs

Overview

Version of · via Relax a crystal structure

template-LiMn8O16

77

Structure

Formula: LiMn₈O₁₆
Space group: P-4m2 (115)
Crystal system: Tetragonal
Atoms per cell: 25
Lattice a, b, c: 5.886 Å5.886 Å8.293 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 287.34 Å³
Density: 4.06 g/cm³

Attribution

Connections

2

Included in datasets

Actions

Structure

Formula: LiMn₈O₁₆
Space group: P-4m2 (115)
Crystal system: Tetragonal
Atoms per cell: 25
Lattice a, b, c: 5.886 Å5.886 Å8.293 Å
Angles α, β, γ: 90.00°90.00°90.00°
Volume: 287.34 Å³
Density: 4.06 g/cm³

Properties

Curie temperature

198 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.17 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 = -175.7164 eV; energy change = -0.0225 eV; symmetry: P-4m2 → P-4m2

ARR license

7

Stats

Size: 1.59 KB
Type: .cif file
Downloads: 0

Properties

Curie temperature

198 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

1.17 TCHGNet
Estimate magnetic moments and Ms from a CIF

50

Join to comment

Connections

2

DataData

DataData

Overview

template-LiMn8O16 - 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