ZnSnO3
zinc stannate · zinc tin trioxide
Zinc stannate is a semiconducting ternary oxide used primarily in catalytic and sensing technologies.
About zinc stannate
ZnSnO3 is a semiconducting ternary oxide that functions as a notable member of the spinel-related catalyst family. Its unique electronic structure and chemical composition make it a subject of significant interest for researchers focusing on functional materials that require specific surface reactivity.
As a metastable compound, it offers distinct pathways for structural tuning during synthesis. This flexibility allows it to be utilized in high-performance applications where controlled electronic behavior is essential for efficient catalytic and sensing processes.
Key Properties
Cross-validated computational properties for zinc stannate, 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 ZnSnO3. 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 ZnSnO3, 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. |
|---|---|---|---|---|---|
| R3c (No. 161) | trigonal | 1.33 | 0.0368 | -1.677 | — |
| — | — | 1.41 | 0.0394 | -1.794 | — |
| R3c (No. 161) | trigonal | 1.08 | 0.0414 | -5.962 | 6.56 |
| — | — | 1.64 | 0.0531 | -1.780 | — |
| R-3 (No. 148) | trigonal | 1.32 | 0.0549 | -5.949 | 6.46 |
| R-3 (No. 148) | trigonal | 1.54 | 0.0550 | -1.659 | — |
| — | — | — | 0.0569 | -1.777 | — |
| — | — | 1.28 | 0.0600 | -1.773 | — |
| Pnma (No. 62) | orthorhombic | 1.32 | 0.0722 | -1.642 | — |
| — | — | 1.44 | 0.0816 | -1.752 | — |
| Pnma (No. 62) | orthorhombic | 1.11 | 0.0828 | -5.921 | 6.67 |
| — | — | 0.00 | 0.7097 | -1.124 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting ZnSnO3.
Applications
Where zinc stannate is used.
Patent Landscape
1 patent reference ZnSnO3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 11760883 | Preparation and application of cube-like ZnSnO3 composite coated with highly graphitized fine ash | — | — |
Frequently Asked Questions
Common questions about zinc stannate, answered from cross-validated data.
What is ZnSnO3?
Zinc stannate is a semiconducting ternary oxide used primarily in catalytic and sensing technologies.
What is ZnSnO3 used for?
What is the band gap of ZnSnO3?
Is ZnSnO3 a metal, semiconductor, or insulator?
Is ZnSnO3 thermodynamically stable?
What is the crystal structure of ZnSnO3?
How many polymorphs of ZnSnO3 are known?
How is ZnSnO3 synthesized?
What elements does ZnSnO3 contain?
Where does the data for ZnSnO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable binary oxides such as ZnO or NiO, ZnSnO3 exists in a metastable state that provides different opportunities for defect engineering. While complex perovskite-structured oxides like LaNiO3 or LaMnO3 are often studied for their magnetic and electronic transitions, ZnSnO3 is primarily valued for its potential in gas sensing and photocatalysis due to its specific semiconducting characteristics.
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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