VMoO5
Vanadium molybdenum oxide is a mixed-metal oxide material often studied for its catalytic properties. It is primarily utilized in research contexts to explore selective oxidation reactions and as a precursor for advanced functional materials.
MoOV
Overview
Key Properties
Cross-validated computational properties for VMoO5, 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.
1.01–1.54 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.
0.033 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.
17
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for VMoO5, 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. |
|---|---|---|---|---|---|
| P4/n (No. 85) | tetragonal | 0.00 | 0.0331 | -8.529 | 4.14 |
| P1 (No. 1) | triclinic | 1.18 | 0.0675 | -8.495 | 3.55 |
| Cm (No. 8) | monoclinic | 1.54 | 0.0704 | -8.492 | 3.52 |
| Cm (No. 8) | monoclinic | 1.01 | 0.0737 | -8.489 | 4.18 |
| P4/n (No. 85) | Tetragonal | — | — | — | 3.70 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 5.89 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 5.14 |
| P4/n (No. 85) | — | — | — | — | — |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.56 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.52 |
| P4/n (No. 85) | Tetragonal | — | — | — | 4.06 |
| P4/n (No. 85) | Tetragonal | — | — | — | 3.58 |
Uses
Applications
Where VMoO5 is used.
CatalysisChemical synthesis researchMaterials science development
Reference
Frequently Asked Questions
Common questions about VMoO5, answered from cross-validated data.
What is VMoO5?
Vanadium molybdenum oxide is a mixed-metal oxide material often studied for its catalytic properties. It is primarily utilized in research contexts to explore selective oxidation reactions and as a precursor for advanced functional materials.
More questions
What is VMoO5 used for?
VMoO5 is used in catalysis, chemical synthesis research, and materials science development.
What is the band gap of VMoO5?
VMoO5 has a DFT-computed band gap of 1.01–1.54 eV across 17 reported structures.
Is VMoO5 a metal, semiconductor, or insulator?
With a band gap up to 1.54 eV it is a semiconductor.
Is VMoO5 thermodynamically stable?
VMoO5 has a lowest energy above hull of 0.033 eV/atom (metastable).
What is the crystal structure of VMoO5?
The lowest-energy reported polymorph of VMoO5 is tetragonal symmetry, space group P4/n (No. 85).
What is the density of VMoO5?
The computed density of the ground-state structure of VMoO5 is 4.14 g/cm³.
How many polymorphs of VMoO5 are known?
17 structures of VMoO5 are reported across 3 databases, spanning 4 distinct space groups.
What elements does VMoO5 contain?
VMoO5 contains Mo, O, and V (3 elements).
Where does the data for VMoO5 come from?
VMoO5 data is cross-referenced from materials_project, mpaloe, jarvis.
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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