inJun 29

template-LiMnSiO4 - relaxed

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Version of · via Relax a crystal structure

template-LiMnSiO4

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Structure

Formula: LiMnSiO₄
Space group: P6_3 (173)
Crystal system: Hexagonal
Atoms per cell: 14
Lattice a, b, c: 5.245 Å5.243 Å9.473 Å
Angles α, β, γ: 89.96°90.06°120.00°
Volume: 225.60 Å³
Density: 2.27 g/cm³

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Structure

Formula: LiMnSiO₄
Space group: P6_3 (173)
Crystal system: Hexagonal
Atoms per cell: 14
Lattice a, b, c: 5.245 Å5.243 Å9.473 Å
Angles α, β, γ: 89.96°90.06°120.00°
Volume: 225.60 Å³
Density: 2.27 g/cm³

Properties

Curie temperature

320 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.44 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 = -98.8238 eV; energy change = -0.1302 eV; symmetry: P6_3 → P6_3

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Size: 1.16 KB
Type: .cif file
Downloads: 0

50

Properties

Curie temperature

320 KCHGNet + CatBoost
Predict Curie temperature from a CIF

Saturation magnetization

0.44 TCHGNet
Estimate magnetic moments and Ms from a CIF

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2

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DataData

Overview

template-LiMnSiO4 - 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