V4ZnO10
This inorganic compound is a complex oxide containing zinc and vanadium. It is primarily studied for its structural properties in solid-state chemistry and potential utility in advanced materials research.
Overview
Key Properties
Cross-validated computational properties for V4ZnO10, 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.
1.08 eV
Range across DFT structures
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.
0.066 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for V4ZnO10, 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. |
|---|---|---|---|---|---|
| Amm2 (No. 38) | orthorhombic | 1.05 | 0.0661 | -8.078 | 3.31 |
| Pm (No. 6) | monoclinic | 1.08 | 0.0729 | -8.071 | 3.35 |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.1151 | -8.029 | 3.53 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.53 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.89 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.63 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.31 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.40 |
| Amm2 (No. 38) | — | — | — | — | — |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.64 |
Uses
Applications
Where V4ZnO10 is used.
Materials science researchCatalysis studiesSolid-state electronics development
Reference
Frequently Asked Questions
Common questions about V4ZnO10, answered from cross-validated data.
What is V4ZnO10?
This inorganic compound is a complex oxide containing zinc and vanadium. It is primarily studied for its structural properties in solid-state chemistry and potential utility in advanced materials research.
More questions
What is V4ZnO10 used for?
V4ZnO10 is used in materials science research, catalysis studies, and solid-state electronics development.
What is the band gap of V4ZnO10?
V4ZnO10 has a DFT-computed band gap of 1.08 eV across 10 reported structures.
Is V4ZnO10 a metal, semiconductor, or insulator?
With a band gap up to 1.08 eV it is a semiconductor.
Is V4ZnO10 thermodynamically stable?
V4ZnO10 has a lowest energy above hull of 0.066 eV/atom (metastable).
What is the crystal structure of V4ZnO10?
The lowest-energy reported polymorph of V4ZnO10 is orthorhombic symmetry, space group Amm2 (No. 38).
What is the density of V4ZnO10?
The computed density of the ground-state structure of V4ZnO10 is 3.31 g/cm³.
How many polymorphs of V4ZnO10 are known?
10 structures of V4ZnO10 are reported across 3 databases, spanning 3 distinct space groups.
What elements does V4ZnO10 contain?
V4ZnO10 contains O, V, and Zn (3 elements).
Where does the data for V4ZnO10 come from?
V4ZnO10 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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