V2Zn2O7
V2Zn2O7 is a stable, semiconducting spinel oxide used primarily as a catalyst in chemical synthesis.
About V2Zn2O7
V2Zn2O7 is a complex spinel oxide that stands out for its thermodynamic stability, sitting securely on the convex hull. As a semiconducting material, it offers unique electronic properties that make it a compelling candidate for catalytic applications where charge transfer and surface reactivity are critical.
This compound is part of a diverse family of oxides known for their structural versatility and catalytic utility. Its ability to maintain a stable lattice structure under various conditions allows it to function effectively in industrial processes that require durable, active materials for chemical transformations.
Key Properties
Cross-validated computational properties for V2Zn2O7, 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 V2Zn2O7. 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 V2Zn2O7, 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. |
|---|---|---|---|---|---|
| — | — | 2.63 | 0.0000 | -2.101 | — |
| C2/c (No. 15) | monoclinic | 2.55 | 0.0000 | -7.200 | 3.92 |
| C2/c (No. 15) | monoclinic | 2.28 | 0.0000 | -2.179 | — |
| C2/c (No. 15) | monoclinic | 2.29 | 0.0091 | -2.170 | — |
| — | — | 2.23 | 0.0266 | -2.075 | — |
| C2/m (No. 12) | monoclinic | 1.96 | 0.0278 | -2.151 | — |
| C2/m (No. 12) | monoclinic | 2.04 | 0.0279 | -2.151 | — |
| C2/m (No. 12) | monoclinic | 2.01 | 0.0308 | -7.169 | 4.32 |
| C2/m (No. 12) | monoclinic | 2.15 | 0.0323 | -7.168 | 3.96 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.09 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.69 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.04 |
Synthesis Routes
Literature-extracted synthesis procedures targeting V2Zn2O7.
Applications
Where V2Zn2O7 is used.
Frequently Asked Questions
Common questions about V2Zn2O7, answered from cross-validated data.
What is V2Zn2O7?
V2Zn2O7 is a stable, semiconducting spinel oxide used primarily as a catalyst in chemical synthesis.
What is V2Zn2O7 used for?
What is the band gap of V2Zn2O7?
Is V2Zn2O7 a metal, semiconductor, or insulator?
Is V2Zn2O7 thermodynamically stable?
What is the crystal structure of V2Zn2O7?
How many polymorphs of V2Zn2O7 are known?
How is V2Zn2O7 synthesized?
What elements does V2Zn2O7 contain?
Where does the data for V2Zn2O7 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the broader class of spinel oxides and related binary oxides like ZnO and NiO, V2Zn2O7 provides a more complex coordination environment than simple binary systems. While materials like MgAl2O4 serve as classic structural benchmarks for the spinel framework, V2Zn2O7 leverages its specific transition metal configuration to offer distinct catalytic pathways compared to simpler oxides like Al2O3 or complex perovskites like LaMnO3.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze V2Zn2O7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →