LiGaO2
Lithium gallate · LGO
Lithium gallate is a stable, wide-band-gap insulating oxide frequently employed as a substrate material in the fabrication of advanced thin-film electronic devices.
About Lithium gallate
Lithium gallate is a thermodynamically stable oxide that functions as a wide-band-gap insulator. Its unique structural properties make it a subject of significant interest for researchers studying advanced dielectric materials and substrate engineering. The compound is characterized by a robust crystalline framework that maintains stability under various processing conditions. Its ability to serve as a template for epitaxial growth has positioned it as a valuable asset in the development of sophisticated electronic and optical devices. By providing a stable lattice match for other functional materials, it facilitates the creation of high-quality thin films essential for modern semiconductor applications.
Key Properties
Cross-validated computational properties for Lithium gallate, aggregated across 3 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 LiGaO2. 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 LiGaO2, 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. |
|---|---|---|---|---|---|
| — | — | 3.53 | 0.0000 | -2.241 | — |
| Pna21 (No. 33) | orthorhombic | 3.35 | 0.0000 | -2.186 | — |
| Pna21 (No. 33) | orthorhombic | 3.20 | 0.0000 | -6.087 | 4.20 |
| — | — | 3.65 | 0.0152 | -2.226 | — |
| — | — | 3.54 | 0.0356 | -2.205 | — |
| R-3m (No. 166) | trigonal | 4.05 | 0.0416 | -2.145 | — |
| — | — | 4.20 | 0.0633 | -2.178 | — |
| R-3m (No. 166) | trigonal | 3.74 | 0.0662 | -6.021 | 4.90 |
| — | — | 3.52 | 0.0704 | -2.170 | — |
| — | — | 3.86 | 0.0888 | -2.152 | — |
| — | — | 3.47 | 0.0903 | -2.151 | — |
| P4/mmm (No. 123) | tetragonal | 1.06 | 0.1932 | -1.993 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiGaO2.
Applications
Where Lithium gallate is used.
Frequently Asked Questions
Common questions about Lithium gallate, answered from cross-validated data.
What is LiGaO2?
Lithium gallate is a stable, wide-band-gap insulating oxide frequently employed as a substrate material in the fabrication of advanced thin-film electronic devices.
What is LiGaO2 used for?
What is the band gap of LiGaO2?
Is LiGaO2 a metal, semiconductor, or insulator?
Is LiGaO2 thermodynamically stable?
What is the crystal structure of LiGaO2?
How many polymorphs of LiGaO2 are known?
How is LiGaO2 synthesized?
What elements does LiGaO2 contain?
Where does the data for LiGaO2 come from?
How It Compares
Within the transparent conducting oxides class.
Unlike the highly conductive BaSnO3 or the spinel-structured ZnGa2O4, LiGaO2 is distinguished by its insulating nature and specific structural symmetry. While materials like ZnO are widely utilized for their intrinsic conductivity, LiGaO2 is primarily valued for its dielectric properties and its utility as a substrate for growing other complex oxide layers, setting it apart from the more conductive or magnetic members of the transparent oxide class.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- 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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