V2MoO8
This compound is a mixed-metal oxide containing vanadium and molybdenum. It is primarily studied for its potential utility in catalytic processes and as a component in advanced electronic materials.
MoOV
Overview
Key Properties
Cross-validated computational properties for V2MoO8, 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.
0.08–1.41 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.
0.015 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for V2MoO8, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 1.41 | 0.0151 | -8.378 | 3.76 |
| Cmm2 (No. 35) | orthorhombic | 1.34 | 0.0296 | -8.363 | 3.47 |
| C2/m (No. 12) | monoclinic | 0.08 | 0.0522 | -8.340 | 3.76 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 3.47 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 3.88 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 3.57 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.53 |
| C2/m (No. 12) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 3.62 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 3.94 |
| Cmm2 (No. 35) | — | — | — | — | — |
Uses
Applications
Where V2MoO8 is used.
CatalysisMaterials science researchElectronic component development
Reference
Frequently Asked Questions
Common questions about V2MoO8, answered from cross-validated data.
What is V2MoO8?
This compound is a mixed-metal oxide containing vanadium and molybdenum. It is primarily studied for its potential utility in catalytic processes and as a component in advanced electronic materials.
More questions
What is V2MoO8 used for?
V2MoO8 is used in catalysis, materials science research, and electronic component development.
What is the band gap of V2MoO8?
V2MoO8 has a DFT-computed band gap of 0.08–1.41 eV across 13 reported structures.
Is V2MoO8 a metal, semiconductor, or insulator?
With a band gap up to 1.41 eV it is a semiconductor.
Is V2MoO8 thermodynamically stable?
V2MoO8 has a lowest energy above hull of 0.015 eV/atom (near hull (likely stable)).
What is the crystal structure of V2MoO8?
The lowest-energy reported polymorph of V2MoO8 is monoclinic symmetry, space group Cm (No. 8).
What is the density of V2MoO8?
The computed density of the ground-state structure of V2MoO8 is 3.76 g/cm³.
How many polymorphs of V2MoO8 are known?
13 structures of V2MoO8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does V2MoO8 contain?
V2MoO8 contains Mo, O, and V (3 elements).
Where does the data for V2MoO8 come from?
V2MoO8 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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