V2H2O5
V2H2O5 is a metastable, semiconducting vanadium oxide hydrate used in fundamental materials research.
About V2H2O5
V2H2O5 is a semiconducting vanadium-based compound that exists in a metastable state. Its structural complexity arises from the integration of hydrogen and oxygen within the vanadium framework, making it a subject of interest for researchers investigating phase transitions and structural evolution in transition metal oxides. The material's electronic properties suggest potential utility in specialized electronic or sensing applications where semiconducting behavior is required. Given its metastable nature, it offers unique pathways for synthesis and modification, providing a platform for studying the interplay between composition and structural stability in vanadium-based systems.
Key Properties
Cross-validated computational properties for V2H2O5, 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 V2H2O5. 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 V2H2O5, 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. |
|---|---|---|---|---|---|
| — | — | 1.15 | 0.0346 | -2.029 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0509 | -1.987 | — |
| C2/m (No. 12) | monoclinic | 1.34 | 0.0557 | -7.575 | 3.36 |
| — | — | 0.00 | 1.1115 | -0.952 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.36 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.49 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.63 |
Applications
Where V2H2O5 is used.
Frequently Asked Questions
Common questions about V2H2O5, answered from cross-validated data.
What is V2H2O5?
V2H2O5 is a metastable, semiconducting vanadium oxide hydrate used in fundamental materials research.
What is V2H2O5 used for?
What is the band gap of V2H2O5?
Is V2H2O5 a metal, semiconductor, or insulator?
Is V2H2O5 thermodynamically stable?
What is the crystal structure of V2H2O5?
How many polymorphs of V2H2O5 are known?
What elements does V2H2O5 contain?
Where does the data for V2H2O5 come from?
How It Compares
As a standalone entry in this context, V2H2O5 represents a distinct compositional niche within the broader landscape of vanadium oxide hydrates. Its metastable character distinguishes it from more common, highly stable vanadium oxides, positioning it as a specialized candidate for experiments where structural sensitivity is advantageous for functional performance.
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.
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