V2Zn3O8
V2Zn3O8 is a metastable, semiconducting spinel oxide used in catalytic research.
About V2Zn3O8
V2Zn3O8 is a complex oxide belonging to the spinel-related family, characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural configuration within the oxide landscape, offering distinct pathways for chemical reactivity in catalytic environments. Its synthesis and characterization are of significant interest for understanding phase stability in multi-component metal oxide systems.
The material is primarily investigated for its potential in catalytic applications where controlled electronic properties are essential. By leveraging its specific vanadium-zinc-oxygen framework, researchers aim to develop more efficient catalysts that can operate under diverse conditions, bridging the gap between fundamental solid-state physics and practical industrial catalysis.
Key Properties
Cross-validated computational properties for V2Zn3O8, 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 V2Zn3O8. 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 V2Zn3O8, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 2.61 | 0.0063 | -2.082 | — |
| — | — | 2.72 | 0.0265 | -2.005 | — |
| Cmce (No. 64) | orthorhombic | 2.70 | 0.0306 | -6.815 | 4.65 |
| Cmce (No. 64) | orthorhombic | — | — | — | 5.08 |
| Cmce (No. 64) | orthorhombic | — | — | — | 4.81 |
| Cmce (No. 64) | orthorhombic | — | — | — | 4.65 |
Synthesis Routes
Literature-extracted synthesis procedures targeting V2Zn3O8.
Applications
Where V2Zn3O8 is used.
Frequently Asked Questions
Common questions about V2Zn3O8, answered from cross-validated data.
What is V2Zn3O8?
V2Zn3O8 is a metastable, semiconducting spinel oxide used in catalytic research.
What is V2Zn3O8 used for?
What is the band gap of V2Zn3O8?
Is V2Zn3O8 a metal, semiconductor, or insulator?
Is V2Zn3O8 thermodynamically stable?
What is the crystal structure of V2Zn3O8?
How many polymorphs of V2Zn3O8 are known?
How is V2Zn3O8 synthesized?
What elements does V2Zn3O8 contain?
Where does the data for V2Zn3O8 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the broad class of spinel and transition metal oxides, V2Zn3O8 occupies a niche position compared to highly stable, well-characterized materials like MgAl2O4 or simple binary oxides such as ZnO. While many members of this class serve as robust structural supports or standard catalysts, V2Zn3O8 is distinguished by its metastable nature, which often provides higher surface reactivity compared to the more thermodynamically inert members like Al2O3.
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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