KPb
KPb is a stable semiconducting intermetallic compound composed of potassium and lead.
About KPb
KPb is a binary intermetallic compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of potassium and lead atoms that maintains structural integrity under standard conditions. The material is characterized by a significant degree of structural diversity, with numerous reported crystalline arrangements documented in materials databases. This structural richness makes it a compelling subject for researchers investigating the interplay between alkali metal and heavy metal bonding.
Key Properties
Cross-validated computational properties for KPb, aggregated across 4 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 KPb. 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 KPb, 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. |
|---|---|---|---|---|---|
| — | — | 0.52 | 0.0000 | -0.245 | — |
| I41/acd (No. 142) | tetragonal | 0.37 | 0.0000 | -31.514 | 5.11 |
| — | — | 0.00 | 0.1779 | -0.067 | — |
| — | — | 0.00 | 0.2569 | 0.012 | — |
| — | — | 0.00 | 0.2762 | 0.031 | — |
| — | — | 0.00 | 0.2773 | 0.033 | — |
| — | — | 0.00 | 0.3766 | 0.132 | — |
| — | — | 0.00 | 0.6298 | 0.385 | — |
| — | — | 0.00 | 0.6651 | 0.420 | — |
| — | — | 0.00 | 0.9870 | 0.742 | — |
| Cm (No. 8) | monoclinic | — | — | — | 5.45 |
| Cm (No. 8) | monoclinic | — | — | — | 5.06 |
Frequently Asked Questions
Common questions about KPb, answered from cross-validated data.
What is KPb?
KPb is a stable semiconducting intermetallic compound composed of potassium and lead.
What is the band gap of KPb?
Is KPb a metal, semiconductor, or insulator?
Is KPb thermodynamically stable?
What is the crystal structure of KPb?
What is the density of KPb?
How many polymorphs of KPb are known?
What elements does KPb contain?
Where does the data for KPb come from?
How It Compares
As a stable binary compound, KPb serves as a foundational example of how potassium and lead interact to form a semiconducting phase. Without direct structural siblings in this specific dataset, it stands as a primary reference point for understanding the phase stability and electronic landscape of alkali-lead intermetallics.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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