LuGaO3
LuGaO3 is a thermodynamically stable, wide-band-gap insulating oxide utilized in advanced optical and electronic applications.
About LuGaO3
LuGaO3 is a complex oxide composed of lutetium, gallium, and oxygen that resides on the convex hull, indicating significant thermodynamic stability. As a wide-band-gap insulator, it represents a specialized member of the broader transparent conducting oxide family, valued for its structural robustness and electronic properties. Its structural diversity is highlighted by numerous reported configurations across major materials databases, making it a subject of interest for fundamental solid-state research. The material is primarily utilized in applications requiring stable, wide-gap dielectric performance where transparency and chemical durability are essential requirements. By leveraging its stable lattice, researchers explore its potential in advanced thin-film technologies and optical components.
Key Properties
Cross-validated computational properties for LuGaO3, 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 LuGaO3. 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 LuGaO3, 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. |
|---|---|---|---|---|---|
| P63cm (No. 185) | hexagonal | 2.88 | 0.0000 | -7.699 | 8.35 |
| P63/mmc (No. 194) | hexagonal | 2.75 | 0.0000 | -2.991 | — |
| — | — | 2.85 | 0.0010 | -3.031 | — |
| Pnma (No. 62) | orthorhombic | 3.94 | 0.0097 | -2.981 | — |
| P63/mmc (No. 194) | hexagonal | 2.52 | 0.0212 | -7.677 | 8.02 |
| — | — | 4.11 | 0.0303 | -3.002 | — |
| Pnma (No. 62) | orthorhombic | 3.64 | 0.0545 | -7.644 | 8.89 |
| — | — | 4.02 | 0.0878 | -2.944 | — |
| — | — | 4.12 | 0.1331 | -2.899 | — |
| — | — | 2.97 | 0.2051 | -2.827 | — |
| — | — | 3.12 | 0.4423 | -2.590 | — |
| Pm-3m (No. 221) | cubic | 3.03 | 0.4646 | -7.234 | 9.10 |
Applications
Where LuGaO3 is used.
Frequently Asked Questions
Common questions about LuGaO3, answered from cross-validated data.
What is LuGaO3?
LuGaO3 is a thermodynamically stable, wide-band-gap insulating oxide utilized in advanced optical and electronic applications.
What is LuGaO3 used for?
What is the band gap of LuGaO3?
Is LuGaO3 a metal, semiconductor, or insulator?
Is LuGaO3 thermodynamically stable?
What is the crystal structure of LuGaO3?
What is the density of LuGaO3?
How many polymorphs of LuGaO3 are known?
What elements does LuGaO3 contain?
Where does the data for LuGaO3 come from?
How It Compares
Within the transparent conducting oxides class.
While many members of the transparent conducting oxide class, such as ZnO or BaSnO3, are engineered for high electrical conductivity, LuGaO3 distinguishes itself as a robust insulating counterpart. Unlike the spinel-structured ZnGa2O4 or the perovskite-related LaGaO3, LuGaO3 maintains a distinct electronic character that limits charge carrier mobility, positioning it as a specialized dielectric rather than a traditional transparent conductor.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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