V2PbO6
V2PbO6 is a stable, semiconducting inorganic oxide containing lead and vanadium that is recognized for its structural reliability.
About V2PbO6
V2PbO6 is a complex oxide composed of vanadium, lead, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is well-represented in materials databases with numerous documented configurations. Its electronic character is defined as semiconducting, making it a subject of interest for researchers investigating functional inorganic materials. The compound's stability suggests it can maintain its structural integrity under various conditions, which is a critical trait for materials intended for long-term technological deployment. Its unique combination of heavy metal lead and transition metal vanadium offers a distinct electronic landscape for potential integration into specialized device architectures.
Key Properties
Cross-validated computational properties for V2PbO6, 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 V2PbO6. 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 V2PbO6, 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. |
|---|---|---|---|---|---|
| — | — | 2.18 | 0.0000 | -2.158 | — |
| C2/m (No. 12) | monoclinic | 2.06 | 0.0000 | -7.942 | 5.17 |
| Pnma (No. 62) | orthorhombic | 1.96 | 0.0000 | -2.258 | — |
| — | — | 2.05 | 0.0173 | -2.141 | — |
| — | — | 0.34 | 0.0185 | -2.140 | — |
| Pnma (No. 62) | orthorhombic | 2.26 | 0.0283 | -7.914 | 5.61 |
| C222 (No. 21) | orthorhombic | 2.34 | 0.1033 | -7.839 | 3.69 |
| — | — | 0.00 | 0.1731 | -1.985 | — |
| — | — | 1.70 | 0.1958 | -1.963 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 4.72 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.83 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.15 |
Applications
Where V2PbO6 is used.
Frequently Asked Questions
Common questions about V2PbO6, answered from cross-validated data.
What is V2PbO6?
V2PbO6 is a stable, semiconducting inorganic oxide containing lead and vanadium that is recognized for its structural reliability.
What is V2PbO6 used for?
What is the band gap of V2PbO6?
Is V2PbO6 a metal, semiconductor, or insulator?
Is V2PbO6 thermodynamically stable?
What is the crystal structure of V2PbO6?
How many polymorphs of V2PbO6 are known?
What elements does V2PbO6 contain?
Where does the data for V2PbO6 come from?
How It Compares
As a thermodynamically stable semiconducting oxide, V2PbO6 serves as a significant reference point within the broader landscape of lead-vanadium-oxygen systems, representing a highly reliable structure for further exploration of electronic and optical properties.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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