ZnSnO2
ZnSnO2 is a semiconducting oxide catalyst that exists as a metastable phase within the broader family of spinel-related materials.
About ZnSnO2
ZnSnO2 is a semiconducting oxide that belongs to the broader category of spinel-related catalysts. Its synthesis and characterization are of significant interest to researchers exploring complex metal-oxide systems for advanced chemical processing and electronic applications. Despite its complex structural landscape, which is evidenced by numerous reported configurations in material databases, the compound remains a subject of study for its potential to facilitate specific catalytic reactions. Its thermodynamic profile, characterized as being above the hull, suggests that it is a metastable phase requiring precise synthesis conditions.
Key Properties
Cross-validated computational properties for ZnSnO2, aggregated across 2 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 ZnSnO2. 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 ZnSnO2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.55 | 0.1004 | -5.401 | 5.57 |
| P-1 (No. 2) | triclinic | 1.82 | 0.1047 | -1.411 | — |
| C2/m (No. 12) | monoclinic | 1.46 | 0.1395 | -1.376 | — |
| P1 (No. 1) | triclinic | 1.18 | 0.1498 | -5.352 | 5.27 |
| P-1 (No. 2) | triclinic | 1.74 | 0.1840 | -1.332 | — |
| P-1 (No. 2) | triclinic | 1.12 | 0.1989 | -5.303 | 5.53 |
| P1 (No. 1) | triclinic | 0.00 | 0.2272 | -5.274 | 5.26 |
| P-1 (No. 2) | triclinic | — | — | — | 5.88 |
| P-1 (No. 2) | triclinic | — | — | — | 5.90 |
| P-1 (No. 2) | triclinic | — | — | — | 5.57 |
| P-1 (No. 2) | triclinic | — | — | — | 5.75 |
| P-1 (No. 2) | triclinic | — | — | — | 5.53 |
Applications
Where ZnSnO2 is used.
Frequently Asked Questions
Common questions about ZnSnO2, answered from cross-validated data.
What is ZnSnO2?
ZnSnO2 is a semiconducting oxide catalyst that exists as a metastable phase within the broader family of spinel-related materials.
What is ZnSnO2 used for?
What is the band gap of ZnSnO2?
Is ZnSnO2 a metal, semiconductor, or insulator?
Is ZnSnO2 thermodynamically stable?
What is the crystal structure of ZnSnO2?
What is the density of ZnSnO2?
How many polymorphs of ZnSnO2 are known?
What elements does ZnSnO2 contain?
Where does the data for ZnSnO2 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse family of spinel and related oxide catalysts, ZnSnO2 occupies a distinct position compared to highly stable, well-characterized materials like MgAl2O4 or simple binary oxides such as ZnO. While many members of this class are valued for their robust thermodynamic stability and predictable performance, ZnSnO2 represents a more challenging, metastable candidate that offers unique electronic properties for specialized catalytic environments.
Related Compounds
Other Spinel Oxide Catalysts 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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