KPb2
Potassium dilead is an intermetallic compound composed of potassium and lead. It is primarily studied in solid-state chemistry for its structural properties and electronic behavior within the context of alkali metal-lead systems.
KPb
Overview
Key Properties
Cross-validated computational properties for KPb2, aggregated across 5 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.
Metallic / not reported
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.
0.003 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.
Near hull (likely stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
26
5 databases, 7 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of KPb2. 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.
2
jarvis, 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 KPb2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0025 | -39.782 | 7.16 |
| — | — | — | — | — | 7.12 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.55 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.33 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.41 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.79 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.74 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.73 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.22 |
| P63/mmc (No. 194) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.14 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.35 |
Uses
Applications
Where KPb2 is used.
Fundamental materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about KPb2, answered from cross-validated data.
What is KPb2?
Potassium dilead is an intermetallic compound composed of potassium and lead. It is primarily studied in solid-state chemistry for its structural properties and electronic behavior within the context of alkali metal-lead systems.
More questions
What is KPb2 used for?
KPb2 is used in fundamental materials science research and solid-state physics studies.
What is the band gap of KPb2?
KPb2 is computed to be metallic (no band gap) in the reported DFT structures.
Is KPb2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is KPb2 thermodynamically stable?
KPb2 has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
What is the crystal structure of KPb2?
The lowest-energy reported polymorph of KPb2 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of KPb2?
The computed density of the ground-state structure of KPb2 is 7.16 g/cm³.
How many polymorphs of KPb2 are known?
26 structures of KPb2 are reported across 5 databases, spanning 7 distinct space groups.
What elements does KPb2 contain?
KPb2 contains K and Pb (2 elements).
Where does the data for KPb2 come from?
KPb2 data is cross-referenced from materials_project, omat24, mpaloe, jarvis, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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