Li2MgSiO4

Li2MgSiO4 is a thermodynamically stable, insulating quaternary oxide utilized in materials research for its structural versatility.

LiMgOSi
Crystal structure of Li2MgSiO4 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Li2MgSiO4

Li2MgSiO4 is a complex quaternary oxide that sits firmly on the thermodynamic convex hull, indicating exceptional structural stability. As a wide-band-gap insulator, it possesses electronic characteristics typical of stable dielectric materials, making it a subject of interest for fundamental solid-state research.

With multiple reported structural configurations across major databases, this compound represents a versatile building block in inorganic chemistry. Its composition allows for significant structural flexibility, which researchers leverage to study ion transport and lattice stability in lithium-containing silicate systems.

At a glance

Key Properties

Cross-validated computational properties for Li2MgSiO4, aggregated across 3 databases.

Band Gap

4.76 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li2MgSiO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic4.760.0000-6.7852.48
Pna21 (No. 33)orthorhombic4.760.0029-6.7822.48
Pna21 (No. 33)Orthorhombic2.48
Pna21 (No. 33)Orthorhombic2.59
Pna21 (No. 33)Orthorhombic2.55
P21/c (No. 14)Monoclinic2.48
P21/c (No. 14)Monoclinic2.61
P21/c (No. 14)Monoclinic2.55
P21/c (No. 14)
Uses

Applications

Where Li2MgSiO4 is used.

Solid-state electrolyte researchCeramic materials developmentFundamental condensed matter physics
Reference

Frequently Asked Questions

Common questions about Li2MgSiO4, answered from cross-validated data.

What is Li2MgSiO4?

Li2MgSiO4 is a thermodynamically stable, insulating quaternary oxide utilized in materials research for its structural versatility.

More questions
What is Li2MgSiO4 used for?
Li2MgSiO4 is used in solid-state electrolyte research, ceramic materials development, and fundamental condensed matter physics.
What is the band gap of Li2MgSiO4?
Li2MgSiO4 has a DFT-computed band gap of 4.76 eV across 9 reported structures.
Is Li2MgSiO4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.76 eV it is an insulator / wide-band-gap material.
Is Li2MgSiO4 thermodynamically stable?
Yes — Li2MgSiO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li2MgSiO4?
The lowest-energy reported polymorph of Li2MgSiO4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Li2MgSiO4?
The computed density of the ground-state structure of Li2MgSiO4 is 2.48 g/cm³.
How many polymorphs of Li2MgSiO4 are known?
9 structures of Li2MgSiO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li2MgSiO4 contain?
Li2MgSiO4 contains Li, Mg, O, and Si (4 elements).
Where does the data for Li2MgSiO4 come from?
Li2MgSiO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique quaternary silicate, Li2MgSiO4 serves as a foundational example of stable lithium-magnesium-based ceramics. It occupies a distinct space within the broader landscape of insulating oxides, providing a baseline for understanding how the integration of alkali and alkaline-earth metals influences the overall thermodynamic landscape of silicate materials.

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).

Analyze Li2MgSiO4 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →