VMoO5
VMoO5 is a metastable, semiconducting mixed-metal oxide containing vanadium and molybdenum.
About VMoO5
VMoO5 is a complex oxide composed of vanadium, molybdenum, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating transition metal oxide systems with tunable conductivity. The compound is characterized by its metastable nature, which presents unique challenges and opportunities for synthesis and structural characterization. With multiple reported structures across various databases, it serves as an intriguing example of the structural diversity found in mixed-metal oxide frameworks.
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.
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 VMoO5. 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 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. |
|---|---|---|---|---|---|
| — | — | 1.68 | 0.0090 | -2.300 | — |
| P4/n (No. 85) | tetragonal | 0.12 | 0.0227 | -2.279 | — |
| P4/n (No. 85) | tetragonal | 0.00 | 0.0331 | -8.529 | 4.14 |
| — | — | 0.69 | 0.0496 | -2.259 | — |
| P1 (No. 1) | triclinic | 1.18 | 0.0675 | -8.495 | 3.55 |
| Cm (No. 8) | monoclinic | 1.60 | 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 |
| Cm (No. 8) | monoclinic | — | — | — | 4.36 |
| Cm (No. 8) | monoclinic | — | — | — | 3.65 |
| Cm (No. 8) | monoclinic | — | — | — | 4.80 |
| Cm (No. 8) | monoclinic | — | — | — | 3.99 |
Frequently Asked Questions
Common questions about VMoO5, answered from cross-validated data.
What is VMoO5?
VMoO5 is a metastable, semiconducting mixed-metal oxide containing vanadium and molybdenum.
What is the band gap of VMoO5?
Is VMoO5 a metal, semiconductor, or insulator?
Is VMoO5 thermodynamically stable?
What is the crystal structure of VMoO5?
How many polymorphs of VMoO5 are known?
What elements does VMoO5 contain?
Where does the data for VMoO5 come from?
How It Compares
As a member of the broader family of mixed-metal oxides, VMoO5 occupies a distinct niche due to its specific elemental composition and metastable phase behavior. While many transition metal oxides are highly stable, the metastability of this compound suggests a complex energy landscape that allows for diverse structural arrangements, distinguishing it from more conventional, highly stable binary oxides.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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