K2PbO2
K2PbO2 is a thermodynamically stable semiconducting oxide containing potassium, lead, and oxygen.
About K2PbO2
K2PbO2 is a thermodynamically stable inorganic compound that exists on the convex hull, indicating a robust energetic state. As a semiconducting oxide, it represents a specialized material of interest for researchers investigating electronic behavior in complex potassium-lead-oxygen systems.
With multiple reported structures across major databases, this compound is a well-documented subject for structural analysis. Its stable configuration makes it a reliable candidate for further study in materials science applications where predictable solid-state behavior is required.
Key Properties
Cross-validated computational properties for K2PbO2, 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 K2PbO2. 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 K2PbO2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.06 | 0.0000 | -1.441 | — |
| — | — | 2.02 | 0.0000 | -1.438 | — |
| P-1 (No. 2) | triclinic | 1.91 | 0.0000 | -4.710 | 4.69 |
| — | — | 0.00 | 0.3430 | -1.095 | — |
| P-1 (No. 2) | triclinic | — | — | — | 4.55 |
| P-1 (No. 2) | triclinic | — | — | — | 4.43 |
| P-1 (No. 2) | triclinic | — | — | — | 4.61 |
Applications
Where K2PbO2 is used.
Frequently Asked Questions
Common questions about K2PbO2, answered from cross-validated data.
What is K2PbO2?
K2PbO2 is a thermodynamically stable semiconducting oxide containing potassium, lead, and oxygen.
What is K2PbO2 used for?
What is the band gap of K2PbO2?
Is K2PbO2 a metal, semiconductor, or insulator?
Is K2PbO2 thermodynamically stable?
What is the crystal structure of K2PbO2?
How many polymorphs of K2PbO2 are known?
What elements does K2PbO2 contain?
Where does the data for K2PbO2 come from?
How It Compares
As a distinct member of the potassium-lead-oxygen system, K2PbO2 occupies a unique niche in solid-state chemistry. While it lacks direct structural siblings in this specific dataset, its position on the convex hull highlights its significance as a stable reference point for future studies into similar ternary oxide phases.
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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