Li2SiO3

Lithium metasilicate · Lithium silicate

Lithium metasilicate is a stable, insulating inorganic compound used primarily in ceramic and energy-related industrial applications.

Crystal structure of Li2SiO3 (orthorhombic, Cmc21 (No. 36))
Ground-state structure · Materials Project
Overview

About Lithium metasilicate

Lithium metasilicate is a thermodynamically stable member of the lithium oxide family. As a wide-band-gap insulator, it exhibits robust chemical properties that make it a reliable material for high-temperature applications and specialized ceramic manufacturing.

Its structural integrity is supported by multiple reported configurations, highlighting its importance in materials science research. This compound serves as a key component in systems where thermal stability and insulating characteristics are essential for performance.

At a glance

Key Properties

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

Band Gap

5.08 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Li2SiO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cmc21 (No. 36)orthorhombic5.080.0000-6.8972.57
Cmc21 (No. 36)
Cmc21 (No. 36)Orthorhombic2.58
Cmc21 (No. 36)Orthorhombic2.46
Cmc21 (No. 36)Orthorhombic2.51
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li2SiO3.

Sol-Gel
Procedure available · ceder_solid_state
Uses

Applications

Where Lithium metasilicate is used.

Ceramic manufacturingTritium breeding materialsGlass-ceramic productionConcrete hardeners
Reference

Frequently Asked Questions

Common questions about Lithium metasilicate, answered from cross-validated data.

What is Li2SiO3?

Lithium metasilicate is a stable, insulating inorganic compound used primarily in ceramic and energy-related industrial applications.

More questions
What is Li2SiO3 used for?
Lithium metasilicate (Li2SiO3) is used in ceramic manufacturing, tritium breeding materials, glass-ceramic production, and concrete hardeners.
What is the band gap of Li2SiO3?
Lithium metasilicate (Li2SiO3) has a DFT-computed band gap of 5.08 eV across 5 reported structures.
Is Li2SiO3 a metal, semiconductor, or insulator?
With a wide band gap up to 5.08 eV it is an insulator / wide-band-gap material.
Is Li2SiO3 thermodynamically stable?
Yes — Lithium metasilicate (Li2SiO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li2SiO3?
The lowest-energy reported polymorph of Lithium metasilicate (Li2SiO3) is orthorhombic symmetry, space group Cmc21 (No. 36).
What is the density of Li2SiO3?
The computed density of the ground-state structure of Lithium metasilicate (Li2SiO3) is 2.57 g/cm³.
How many polymorphs of Li2SiO3 are known?
5 structures of Li2SiO3 are reported across 3 databases, spanning 1 distinct space group.
How is Li2SiO3 synthesized?
Literature-reported routes for Li2SiO3 include sol-gel.
What elements does Li2SiO3 contain?
Lithium metasilicate (Li2SiO3) contains Li, O, and Si (3 elements).
Where does the data for Li2SiO3 come from?
Li2SiO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the common cathode materials in its class such as LiCoO2 or LiMn2O4, which are characterized by their electrochemical activity and transition metal redox centers, Li2SiO3 functions primarily as a stable, insulating structural component, sharing more functional similarities with Li2TiO3 or Li4SiO4 in its role as a ceramic or electrolyte-related material.

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Related Compounds

Other Lithium Oxides in the database.

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

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