ZnIn2O4
Zinc indium oxide · ZIO
ZnIn2O4 is a semiconducting spinel oxide utilized for its photocatalytic properties and potential in optoelectronic device development.
About Zinc indium oxide
Zinc indium oxide is a semiconducting spinel oxide that has garnered significant interest due to its potential in advanced catalytic and electronic applications. Its metastable nature makes it a compelling subject for synthesis research, as it offers distinct structural properties compared to more conventional, highly stable oxides. The material is primarily investigated for its role in photocatalysis, where its electronic characteristics allow it to facilitate light-driven chemical reactions. Its versatility within the spinel family positions it as a key candidate for developing next-generation functional materials.
Key Properties
Cross-validated computational properties for Zinc indium oxide, 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 ZnIn2O4. 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 ZnIn2O4, 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 | 1.41 | 0.0148 | -1.656 | — |
| — | — | 1.48 | 0.0269 | -1.761 | — |
| Fd-3m (No. 227) | cubic | 1.18 | 0.0296 | -5.702 | 6.42 |
| — | — | 1.57 | 0.0305 | -1.758 | — |
| Pnma (No. 62) | orthorhombic | 0.64 | 0.0688 | -5.663 | 6.34 |
| Pnma (No. 62) | orthorhombic | 0.47 | 0.1992 | -5.532 | 6.85 |
| P2/m (No. 10) | monoclinic | — | — | — | 6.21 |
| Pnma (No. 62) | orthorhombic | — | — | — | 7.36 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.85 |
| Pnma (No. 62) | orthorhombic | — | — | — | 6.79 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.42 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.66 |
Synthesis Routes
Literature-extracted synthesis procedures targeting ZnIn2O4.
Applications
Where Zinc indium oxide is used.
Frequently Asked Questions
Common questions about Zinc indium oxide, answered from cross-validated data.
What is ZnIn2O4?
ZnIn2O4 is a semiconducting spinel oxide utilized for its photocatalytic properties and potential in optoelectronic device development.
What is ZnIn2O4 used for?
What is the band gap of ZnIn2O4?
Is ZnIn2O4 a metal, semiconductor, or insulator?
Is ZnIn2O4 thermodynamically stable?
What is the crystal structure of ZnIn2O4?
How many polymorphs of ZnIn2O4 are known?
How is ZnIn2O4 synthesized?
What elements does ZnIn2O4 contain?
Where does the data for ZnIn2O4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse class of spinel and transition metal oxides, ZnIn2O4 occupies a specialized niche compared to robust insulators like MgAl2O4 or standard binary oxides like ZnO. While materials such as LaNiO3 or LaMnO3 are often studied for their complex magnetic and metallic behaviors, ZnIn2O4 is distinguished by its specific semiconducting utility in catalytic environments, offering a different balance of stability and reactivity than the more common perovskite-structured siblings.
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)
- 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)
- 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.
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