V3O5
V3O5 is a semiconducting vanadium oxide that exists as a near-hull phase, making it a candidate for synthesis in advanced electrochromic and refractory applications.
About V3O5
V3O5 is a semiconducting oxide composed of vanadium and oxygen, positioned as a near-hull phase that suggests high potential for successful laboratory synthesis. As a member of the refractory-metal oxide family, it benefits from the structural flexibility characteristic of vanadium-based systems, which have been extensively documented across multiple crystallographic databases.
This compound is of significant interest in materials science due to its electronic properties and the complex phase behavior inherent to vanadium oxides. Its ability to exist in various structural configurations makes it a compelling subject for research into electrochromic devices and high-temperature stable materials where specific semiconducting behaviors are required.
Key Properties
Cross-validated computational properties for V3O5, 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 V3O5. 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 V3O5, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.00 | 0.0021 | -2.529 | — |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0021 | -2.529 | — |
| P-1 (No. 2) | triclinic | 1.15 | 0.0077 | -9.021 | 4.44 |
| — | — | 0.87 | 0.0082 | -2.577 | — |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0100 | -2.521 | — |
| Cc (No. 9) | monoclinic | 1.02 | 0.0103 | -9.019 | 4.44 |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0120 | -9.017 | 4.44 |
| — | — | 0.00 | 0.0146 | -2.570 | — |
| C2 (No. 5) | monoclinic | 0.24 | 0.0308 | -8.998 | 4.44 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0367 | -8.992 | 4.75 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.56 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.64 |
Applications
Where V3O5 is used.
Frequently Asked Questions
Common questions about V3O5, answered from cross-validated data.
What is V3O5?
V3O5 is a semiconducting vanadium oxide that exists as a near-hull phase, making it a candidate for synthesis in advanced electrochromic and refractory applications.
What is V3O5 used for?
What is the band gap of V3O5?
Is V3O5 a metal, semiconductor, or insulator?
Is V3O5 thermodynamically stable?
What is the crystal structure of V3O5?
What is the density of V3O5?
How many polymorphs of V3O5 are known?
What elements does V3O5 contain?
Where does the data for V3O5 come from?
How It Compares
Within the electrochromic and refractory-metal oxides class.
Within the broader class of electrochromic and refractory-metal oxides, V3O5 occupies a unique niche compared to the more common V2O5. While V2O5 is widely utilized for its well-defined electrochromic switching, V3O5 represents a more nuanced phase that bridges the gap between simpler oxides like NbO2 and the more complex, highly studied systems like WO3 or MoO3.
Related Compounds
Other Electrochromic and Refractory-Metal Oxides 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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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