LiAlO2
Lithium aluminate · gamma-LiAlO2, lithium meta-aluminate
Lithium aluminate is a stable, insulating ceramic material primarily utilized as a specialized substrate for semiconductor manufacturing and high-temperature applications.
About Lithium aluminate
Lithium aluminate is a robust, thermodynamically stable oxide that functions as a wide-band-gap insulator. Its structural integrity and chemical inertness make it a highly reliable material for demanding high-temperature environments and specialized industrial processes.
Beyond its fundamental material properties, this compound is widely recognized for its utility in the fabrication of thin-film semiconductors. Its ability to serve as a stable substrate allows for the precise deposition of complex electronic materials, solidifying its role in advanced materials engineering.
Key Properties
Cross-validated computational properties for Lithium aluminate, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LiAlO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for LiAlO2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 6.76 | 0.0000 | -2.983 | — |
| R-3m (No. 166) | trigonal | 6.12 | 0.0000 | -6.985 | 3.44 |
| — | — | 5.41 | 0.0000 | -2.951 | — |
| P41212 (No. 92) | tetragonal | 4.96 | 0.0013 | -2.982 | — |
| — | — | 4.91 | 0.0033 | -2.948 | — |
| P41212 (No. 92) | tetragonal | 4.59 | 0.0141 | -6.970 | 2.64 |
| — | — | 6.67 | 0.0179 | -2.933 | — |
| — | — | 5.23 | 0.0208 | -2.930 | — |
| — | — | 6.16 | 0.0497 | -2.901 | — |
| — | — | 6.31 | 0.0580 | -2.893 | — |
| P-4m2 (No. 115) | tetragonal | 4.50 | 0.1028 | -6.882 | 3.41 |
| — | — | 5.33 | 0.1166 | -2.834 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiAlO2.
Applications
Where Lithium aluminate is used.
Patent Landscape
1 patent reference LiAlO2 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 3998939 | Production of beta-lithium aluminate (LiAlO.sub.2) | — | — |
Frequently Asked Questions
Common questions about Lithium aluminate, answered from cross-validated data.
What is LiAlO2?
Lithium aluminate is a stable, insulating ceramic material primarily utilized as a specialized substrate for semiconductor manufacturing and high-temperature applications.
What is LiAlO2 used for?
What is the band gap of LiAlO2?
Is LiAlO2 a metal, semiconductor, or insulator?
Is LiAlO2 thermodynamically stable?
What is the crystal structure of LiAlO2?
How many polymorphs of LiAlO2 are known?
How is LiAlO2 synthesized?
What elements does LiAlO2 contain?
Where does the data for LiAlO2 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the electrochemically active layered lithium transition-metal oxides such as LiCoO2 or LiNiO2, which are primarily utilized for their lithium-ion storage capabilities, LiAlO2 is electronically insulating and chemically passive. While its siblings are designed for energy density and charge transport, LiAlO2 serves as a structural foundation for thin-film growth, highlighting a distinct functional divergence within the broader lithium-based oxide family.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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