LiAlO2

Lithium aluminate · gamma-lithium aluminate, lithium metaaluminate

Lithium aluminate is a ceramic material often utilized as a substrate for the growth of thin films and as a component in nuclear technology. Its stable crystal structure makes it suitable for high-temperature environments and specialized electronic applications.

Crystal structure of LiAlO2 (trigonal, R-3m (No. 166))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Lithium aluminate, aggregated across 2 databases.

Band Gap

4.59–6.12 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

5
2 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for LiAlO2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3m (No. 166)trigonal6.120.0000-6.9853.44
P41212 (No. 92)tetragonal4.590.0141-6.9702.64
P-4m2 (No. 115)tetragonal4.770.1028-6.8823.41
P41212 (No. 92)
R-3m (No. 166)
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting LiAlO2.

Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses

Applications

Where Lithium aluminate is used.

Substrate for gallium nitride epitaxyTritium breeding material in fusion reactorsElectrolyte support in molten carbonate fuel cellsCatalyst support
Reference

Frequently Asked Questions

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

What is LiAlO2?

Lithium aluminate is a ceramic material often utilized as a substrate for the growth of thin films and as a component in nuclear technology. Its stable crystal structure makes it suitable for high-temperature environments and specialized electronic applications.

More questions
What is LiAlO2 used for?
Lithium aluminate (LiAlO2) is used in substrate for gallium nitride epitaxy, tritium breeding material in fusion reactors, electrolyte support in molten carbonate fuel cells, and catalyst support.
What is the band gap of LiAlO2?
Lithium aluminate (LiAlO2) has a DFT-computed band gap of 4.59–6.12 eV across 5 reported structures.
Is LiAlO2 a metal, semiconductor, or insulator?
With a wide band gap up to 6.12 eV it is an insulator / wide-band-gap material.
Is LiAlO2 thermodynamically stable?
Yes — Lithium aluminate (LiAlO2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiAlO2?
The lowest-energy reported polymorph of Lithium aluminate (LiAlO2) is trigonal symmetry, space group R-3m (No. 166).
What is the density of LiAlO2?
The computed density of the ground-state structure of Lithium aluminate (LiAlO2) is 3.44 g/cm³.
How many polymorphs of LiAlO2 are known?
5 structures of LiAlO2 are reported across 2 databases, spanning 3 distinct space groups.
How is LiAlO2 synthesized?
Literature-reported routes for LiAlO2 include sol-gel (7 procedures documented).
What elements does LiAlO2 contain?
Lithium aluminate (LiAlO2) contains Al, Li, and O (3 elements).
Where does the data for LiAlO2 come from?
LiAlO2 data is cross-referenced from materials_project, jarvis.
Explore

Related Compounds

Other Layered Lithium Transition-Metal 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).

Analyze LiAlO2 in the Lattice Graph platform

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

Explore the Platform →