GaIO3
GaIO3 is a thermodynamically stable, wide-gap insulating oxide utilized in research for transparent electronic and optical applications.
About GaIO3
GaIO3 is a thermodynamically stable inorganic compound that sits within the class of transparent conducting oxides. Its electronic character is defined by a wide band gap, classifying it as an insulator rather than a traditional conductor, which makes it a subject of interest for specialized optoelectronic research. The material is well-documented with multiple reported structures across major databases, highlighting its significance in structural chemistry. Its stability on the convex hull suggests it is a robust candidate for further experimental investigation in materials science. It is primarily studied for its potential utility in advanced optical coatings and transparent electronic components where insulating properties are required alongside material transparency.
Key Properties
Cross-validated computational properties for GaIO3, aggregated across 4 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 GaIO3. 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 GaIO3, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 3.32 | 0.0000 | -5.084 | 5.58 |
| — | — | — | — | — | 6.93 |
| — | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.07 |
Applications
Where GaIO3 is used.
Frequently Asked Questions
Common questions about GaIO3, answered from cross-validated data.
What is GaIO3?
GaIO3 is a thermodynamically stable, wide-gap insulating oxide utilized in research for transparent electronic and optical applications.
What is GaIO3 used for?
What is the band gap of GaIO3?
Is GaIO3 a metal, semiconductor, or insulator?
Is GaIO3 thermodynamically stable?
What is the crystal structure of GaIO3?
What is the density of GaIO3?
How many polymorphs of GaIO3 are known?
What elements does GaIO3 contain?
Where does the data for GaIO3 come from?
How It Compares
Within the transparent conducting oxides class.
While many members of the transparent conducting oxide class, such as BaSnO3, are engineered for high conductivity, GaIO3 distinguishes itself through its insulating nature. Unlike the widely utilized ZnO or the complex spinel structures like ZnGa2O4 and ZnCr2O4, GaIO3 offers a unique chemical composition that broadens the design space for oxide-based thin films and dielectric layers.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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