Li2MnSiO5

Li2MnSiO5 is a metastable, semiconducting lithium manganese silicate oxide studied for its potential utility in advanced electrochemical energy storage applications.

Crystal structure of Li2MnSiO5 (tetragonal, P4/nmm (No. 129))
Ground-state structure · Materials Project
Overview

About Li2MnSiO5

Li2MnSiO5 is a semiconducting member of the spinel lithium manganese oxide family. As a metastable phase, it represents a complex arrangement of lithium, manganese, silicon, and oxygen atoms that offers unique pathways for ion mobility in solid-state systems. Its structural configuration is of significant interest for researchers investigating high-capacity cathode materials for next-generation batteries.

The compound is characterized by its distinct electronic properties and structural flexibility, which distinguish it from more common oxide frameworks. Its role in materials science is defined by its potential to support stable electrochemical cycling, making it a subject of ongoing investigation within the broader landscape of lithium-based energy storage materials.

At a glance

Key Properties

Cross-validated computational properties for Li2MnSiO5, aggregated across 3 databases.

Band Gap

0.56 eV
Range across DFT structures

Energy Above Hull

0.090 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Li2MnSiO5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P4/nmm (No. 129)tetragonal0.560.0900-7.2533.21
P4/nmm (No. 129)Tetragonal3.21
P4/nmm (No. 129)Tetragonal3.47
P4/nmm (No. 129)Tetragonal3.33
P4/nmm (No. 129)
Uses

Applications

Where Li2MnSiO5 is used.

Lithium-ion battery researchSolid-state electrolyte developmentAdvanced cathode material investigation
Reference

Frequently Asked Questions

Common questions about Li2MnSiO5, answered from cross-validated data.

What is Li2MnSiO5?

Li2MnSiO5 is a metastable, semiconducting lithium manganese silicate oxide studied for its potential utility in advanced electrochemical energy storage applications.

More questions
What is Li2MnSiO5 used for?
Li2MnSiO5 is used in lithium-ion battery research, solid-state electrolyte development, and advanced cathode material investigation.
What is the band gap of Li2MnSiO5?
Li2MnSiO5 has a DFT-computed band gap of 0.56 eV across 5 reported structures.
Is Li2MnSiO5 a metal, semiconductor, or insulator?
With a band gap up to 0.56 eV it is a semiconductor.
Is Li2MnSiO5 thermodynamically stable?
Li2MnSiO5 has a lowest energy above hull of 0.090 eV/atom (metastable).
What is the crystal structure of Li2MnSiO5?
The lowest-energy reported polymorph of Li2MnSiO5 is tetragonal symmetry, space group P4/nmm (No. 129).
What is the density of Li2MnSiO5?
The computed density of the ground-state structure of Li2MnSiO5 is 3.21 g/cm³.
How many polymorphs of Li2MnSiO5 are known?
5 structures of Li2MnSiO5 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li2MnSiO5 contain?
Li2MnSiO5 contains Li, Mn, O, and Si (4 elements).
Where does the data for Li2MnSiO5 come from?
Li2MnSiO5 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

Within the spinel lithium manganese oxides class.

Within the diverse group of spinel lithium manganese oxides, Li2MnSiO5 occupies a specialized niche compared to well-established materials like LiMn2O4. While LiMn2O4 is widely utilized for its robust performance in commercial batteries, Li2MnSiO5 represents a more complex, metastable variation that incorporates silicon into the lattice to potentially tune electrochemical behavior and structural stability in ways that simpler oxides like LiMnO2 or Li2MnO3 cannot.

Explore

Related Compounds

Other Spinel Lithium Manganese Oxides in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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