VPbO3
VPbO3 is a semiconducting ternary oxide that is theoretically stable enough to be a candidate for laboratory synthesis.
About VPbO3
VPbO3 is a complex oxide composed of vanadium, lead, and oxygen. As a semiconducting material, it occupies a unique position in solid-state chemistry, offering potential for electronic applications where specific charge transport properties are required.
Because it is situated near the thermodynamic hull, the compound is considered a viable target for experimental synthesis. Its structural diversity, evidenced by multiple reported configurations across databases, suggests a flexible lattice capable of accommodating various synthesis conditions.
Key Properties
Cross-validated computational properties for VPbO3, 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 VPbO3. 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 VPbO3, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0174 | -2.091 | — |
| — | — | 1.84 | 0.0183 | -2.064 | — |
| P4mm (No. 99) | tetragonal | 1.41 | 0.0221 | -7.643 | 6.98 |
| — | — | 1.00 | 0.0231 | -2.060 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0246 | -2.083 | — |
| — | — | 1.01 | 0.0327 | -2.050 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0343 | -2.074 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 0.0501 | -2.058 | — |
| — | — | 0.22 | 0.0602 | -2.023 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 0.0605 | -2.047 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 0.0606 | -2.047 | — |
| — | — | 0.00 | 0.0608 | -2.022 | — |
Applications
Where VPbO3 is used.
Frequently Asked Questions
Common questions about VPbO3, answered from cross-validated data.
What is VPbO3?
VPbO3 is a semiconducting ternary oxide that is theoretically stable enough to be a candidate for laboratory synthesis.
What is VPbO3 used for?
What is the band gap of VPbO3?
Is VPbO3 a metal, semiconductor, or insulator?
Is VPbO3 thermodynamically stable?
What is the crystal structure of VPbO3?
What is the density of VPbO3?
How many polymorphs of VPbO3 are known?
What elements does VPbO3 contain?
Where does the data for VPbO3 come from?
How It Compares
As a member of the complex ternary oxide family, VPbO3 represents a specialized material system that bridges the gap between simple binary oxides and more intricate perovskite-like structures. While it lacks direct siblings in this specific dataset, its status as a near-hull phase distinguishes it as a high-interest candidate for researchers seeking to explore stable yet non-trivial oxide architectures.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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