KPb
Potassium lead is an intermetallic compound formed from alkali metal and heavy metal components. It is primarily studied in the context of solid-state chemistry and materials science research regarding alloy structures.
KPb
Overview
Key Properties
Cross-validated computational properties for KPb, 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.
0.57 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
35
3 databases, 11 space groups
Validation
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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
1
materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
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. |
|---|---|---|---|---|---|
| I41/acd (No. 142) | tetragonal | 0.57 | 0.0000 | -31.514 | 5.11 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 5.44 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.77 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.06 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.01 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.46 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.11 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.30 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.72 |
| P1 (No. 1) | Triclinic | — | — | — | 4.11 |
| P1 (No. 1) | Triclinic | — | — | — | 4.53 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.56 |
Uses
Applications
Where KPb is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about KPb, answered from cross-validated data.
What is KPb?
Potassium lead is an intermetallic compound formed from alkali metal and heavy metal components. It is primarily studied in the context of solid-state chemistry and materials science research regarding alloy structures.
More questions
What is KPb used for?
KPb is used in materials science research and solid-state chemistry studies.
What is the band gap of KPb?
KPb has a DFT-computed band gap of 0.57 eV across 35 reported structures.
Is KPb a metal, semiconductor, or insulator?
With a band gap up to 0.57 eV it is a semiconductor.
Is KPb thermodynamically stable?
Yes — KPb sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KPb?
The lowest-energy reported polymorph of KPb is tetragonal symmetry, space group I41/acd (No. 142).
What is the density of KPb?
The computed density of the ground-state structure of KPb is 5.11 g/cm³.
How many polymorphs of KPb are known?
35 structures of KPb are reported across 3 databases, spanning 11 distinct space groups.
What elements does KPb contain?
KPb contains K and Pb (2 elements).
Where does the data for KPb come from?
KPb data is cross-referenced from materials_project, mpaloe, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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