V2ZnO6
V2ZnO6 is a semiconducting spinel oxide compound that is considered a promising candidate for catalytic applications due to its favorable thermodynamic stability.
About V2ZnO6
V2ZnO6 is a complex spinel oxide characterized by its semiconducting electronic structure. Its position near the thermodynamic hull suggests that it is a viable target for experimental synthesis and structural characterization in materials science laboratories.
This compound represents a specialized member of the broader spinel oxide catalyst family. Its unique combination of vanadium and zinc within an oxygen framework provides a distinct electronic environment that is highly relevant for researchers investigating surface-active materials and heterogeneous catalysis.
Key Properties
Cross-validated computational properties for V2ZnO6, 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 V2ZnO6. 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 V2ZnO6, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 2.16 | 0.0000 | -2.277 | — |
| C2/m (No. 12) | monoclinic | 2.17 | 0.0009 | -2.276 | — |
| C2/m (No. 12) | monoclinic | 2.08 | 0.0011 | -2.276 | — |
| C2/m (No. 12) | monoclinic | 2.19 | 0.0094 | -2.267 | — |
| — | — | 2.16 | 0.0178 | -2.147 | — |
| — | — | 2.17 | 0.0183 | -2.146 | — |
| C2/m (No. 12) | monoclinic | 2.42 | 0.0191 | -7.655 | 4.43 |
| — | — | 0.00 | 0.0227 | -2.142 | — |
| C2 (No. 5) | monoclinic | 2.28 | 0.0229 | -7.651 | 4.19 |
| — | — | 2.40 | 0.0537 | -2.111 | — |
| P1 (No. 1) | triclinic | 1.68 | 0.0934 | -2.183 | — |
| Cm (No. 8) | monoclinic | 1.34 | 0.1005 | -7.573 | 4.17 |
Applications
Where V2ZnO6 is used.
Frequently Asked Questions
Common questions about V2ZnO6, answered from cross-validated data.
What is V2ZnO6?
V2ZnO6 is a semiconducting spinel oxide compound that is considered a promising candidate for catalytic applications due to its favorable thermodynamic stability.
What is V2ZnO6 used for?
What is the band gap of V2ZnO6?
Is V2ZnO6 a metal, semiconductor, or insulator?
Is V2ZnO6 thermodynamically stable?
What is the crystal structure of V2ZnO6?
What is the density of V2ZnO6?
How many polymorphs of V2ZnO6 are known?
What elements does V2ZnO6 contain?
Where does the data for V2ZnO6 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse landscape of spinel and related oxide catalysts, V2ZnO6 occupies a niche position compared to more conventional materials like ZnO or MgAl2O4. While simple binary oxides such as NiO and CuO are widely utilized for their established redox properties, V2ZnO6 offers a more complex structural architecture that may provide enhanced selectivity or activity in specialized catalytic pathways.
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.
- 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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