V2ZnO4
V2ZnO4 is a stable, semiconducting spinel oxide used primarily in research for its catalytic potential and complex structural chemistry.
About V2ZnO4
V2ZnO4 is a complex spinel oxide that occupies a stable position on the convex hull, indicating robust thermodynamic favorability. As a semiconducting material, it is frequently investigated for its unique electronic properties and structural versatility in catalytic applications.
With numerous reported crystal structures, this compound serves as a significant model for understanding the behavior of mixed-metal oxides. Its composition allows for precise tuning of its catalytic performance, making it a valuable candidate for advanced chemical synthesis and materials engineering.
Key Properties
Cross-validated computational properties for V2ZnO4, 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 V2ZnO4. 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 V2ZnO4, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 1.36 | 0.0000 | -7.944 | 4.85 |
| — | — | 0.54 | 0.0000 | -2.386 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0052 | -2.227 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0052 | -2.227 | — |
| P3m1 (No. 156) | trigonal | 1.31 | 0.0280 | -7.916 | 4.86 |
| R3m (No. 160) | trigonal | 1.36 | 0.0453 | -7.898 | 4.85 |
| — | — | 0.00 | 0.0659 | -2.320 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0725 | -7.871 | 4.88 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0767 | -7.867 | 4.83 |
| R3m (No. 160) | trigonal | 0.01 | 0.0799 | -2.153 | — |
| Cm (No. 8) | monoclinic | 1.25 | 0.0887 | -7.855 | 4.83 |
| Imma (No. 74) | orthorhombic | 1.06 | 0.1096 | -7.834 | 4.81 |
Synthesis Routes
Literature-extracted synthesis procedures targeting V2ZnO4.
Applications
Where V2ZnO4 is used.
Frequently Asked Questions
Common questions about V2ZnO4, answered from cross-validated data.
What is V2ZnO4?
V2ZnO4 is a stable, semiconducting spinel oxide used primarily in research for its catalytic potential and complex structural chemistry.
What is V2ZnO4 used for?
What is the band gap of V2ZnO4?
Is V2ZnO4 a metal, semiconductor, or insulator?
Is V2ZnO4 thermodynamically stable?
What is the crystal structure of V2ZnO4?
How many polymorphs of V2ZnO4 are known?
How is V2ZnO4 synthesized?
What elements does V2ZnO4 contain?
Where does the data for V2ZnO4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse class of spinel and transition metal oxides, V2ZnO4 stands out for its structural complexity compared to simpler binary oxides like ZnO or Al2O3. While materials like MgAl2O4 serve as classic structural benchmarks for the spinel framework, V2ZnO4 offers distinct electronic characteristics that differentiate it from the perovskite-structured LaMnO3 or LaNiO3, positioning it as a specialized functional material.
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)
- 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)
- 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.
Analyze V2ZnO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →