ZnGa2O4
Zinc gallate · ZGO
Zinc gallate is a metallic spinel oxide used as a specialized catalyst and functional material in advanced technological applications.
About Zinc gallate
Zinc gallate is a prominent member of the spinel oxide family, characterized by its distinct structural arrangement and metallic electronic behavior. This compound is highly valued for its versatility in material science, often serving as a foundational material for developing functional surfaces and catalytic systems.
Its importance stems from the interplay between its zinc and gallium cations, which facilitate specific chemical interactions. As a spinel oxide, it provides a stable framework that is frequently explored for its potential in advanced industrial processes and specialized technological applications.
Key Properties
Cross-validated computational properties for Zinc gallate, aggregated across 1 database.
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 ZnGa2O4. 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 ZnGa2O4, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 2.62 | 0.0000 | -1.940 | — |
| Fd-3m (No. 227) | cubic | 2.31 | 0.0000 | -6.049 | 6.15 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.17 |
| Fd-3m (No. 227) | cubic | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting ZnGa2O4.
Applications
Where Zinc gallate is used.
Frequently Asked Questions
Common questions about Zinc gallate, answered from cross-validated data.
What is ZnGa2O4?
Zinc gallate is a metallic spinel oxide used as a specialized catalyst and functional material in advanced technological applications.
What is ZnGa2O4 used for?
What is the band gap of ZnGa2O4?
Is ZnGa2O4 a metal, semiconductor, or insulator?
Is ZnGa2O4 thermodynamically stable?
What is the crystal structure of ZnGa2O4?
How is ZnGa2O4 synthesized?
What elements does ZnGa2O4 contain?
Where does the data for ZnGa2O4 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the simple binary oxides in its class such as ZnO or NiO, ZnGa2O4 adopts a complex spinel structure that allows for more intricate tuning of its physical properties. While materials like MgAl2O4 represent the classic spinel archetype, zinc gallate offers a unique metallic character that distinguishes it from the more insulating or semiconducting members of the spinel group.
Related Compounds
Other Spinel Oxide Catalysts 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)
- 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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