K3Sb
tripotassium antimonide · potassium antimonide
K3Sb is a stable semiconducting intermetallic compound formed from potassium and antimony used in specialized electronic research.
About tripotassium antimonide
K3Sb is a stable binary intermetallic compound composed of potassium and antimony. It is recognized for its semiconducting electronic character, which makes it a subject of interest in materials science research. The material is well-documented, with numerous reported structural variations across multiple databases, reflecting its significant role in fundamental studies.
Its thermodynamic stability on the convex hull ensures that it remains a robust candidate for specialized electronic and optoelectronic applications. By leveraging the unique interaction between the alkali metal and the pnictogen, this compound provides a distinct electronic profile suitable for high-performance device development.
Key Properties
Cross-validated computational properties for tripotassium antimonide, 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.
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 K3Sb. 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 K3Sb, 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. |
|---|---|---|---|---|---|
| — | — | 0.64 | 0.0000 | -0.418 | — |
| P63/mmc (No. 194) | hexagonal | 0.48 | 0.0000 | -0.503 | — |
| P63/mmc (No. 194) | hexagonal | 0.48 | 0.0000 | -0.503 | — |
| P63/mmc (No. 194) | hexagonal | 0.39 | 0.0000 | -11.489 | 2.31 |
| Fm-3m (No. 225) | cubic | 0.99 | 0.0035 | -0.500 | — |
| Fm-3m (No. 225) | cubic | 0.68 | 0.0152 | -11.473 | 2.63 |
| — | — | 0.80 | 0.0281 | -0.390 | — |
| — | — | 0.80 | 0.0292 | -0.388 | — |
| — | — | 0.00 | 0.1032 | -0.314 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1421 | -0.361 | — |
| — | — | 0.00 | 0.1714 | -0.246 | — |
| Cm (No. 8) | monoclinic | — | — | — | 1.89 |
Applications
Where tripotassium antimonide is used.
Frequently Asked Questions
Common questions about tripotassium antimonide, answered from cross-validated data.
What is K3Sb?
K3Sb is a stable semiconducting intermetallic compound formed from potassium and antimony used in specialized electronic research.
What is K3Sb used for?
What is the band gap of K3Sb?
Is K3Sb a metal, semiconductor, or insulator?
Is K3Sb thermodynamically stable?
What is the crystal structure of K3Sb?
What is the density of K3Sb?
How many polymorphs of K3Sb are known?
What elements does K3Sb contain?
Where does the data for K3Sb come from?
How It Compares
As a stable binary semiconductor, K3Sb occupies a unique niche in the landscape of alkali-pnictide materials, serving as a foundational example of how these elements combine to form electronically active, thermodynamically favored structures.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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