KSb2
KSb2 is a thermodynamically stable semiconducting binary compound formed from potassium and antimony.
About KSb2
KSb2 is a binary inorganic compound composed of potassium and antimony. It is recognized as a thermodynamically stable phase, residing on the convex hull, which indicates a robust structural configuration under standard conditions. As a semiconducting material, it is of interest for its electronic properties. The compound has been extensively characterized in materials databases, with numerous reported structures highlighting its significance in solid-state chemistry research.
Key Properties
Cross-validated computational properties for KSb2, 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 KSb2. 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 KSb2, 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. |
|---|---|---|---|---|---|
| — | — | 0.38 | 0.0000 | -0.306 | — |
| C2/m (No. 12) | monoclinic | 0.24 | 0.0000 | -0.350 | — |
| C2/m (No. 12) | monoclinic | 0.22 | 0.0000 | -19.535 | 4.34 |
| — | — | 0.00 | 0.0194 | -0.286 | — |
| — | — | 0.00 | 0.6708 | 0.365 | — |
| P-1 (No. 2) | triclinic | — | — | — | 2.48 |
| P6/mmm (No. 191) | hexagonal | — | — | — | 3.53 |
| P1 (No. 1) | triclinic | — | — | — | 4.67 |
| P-1 (No. 2) | triclinic | — | — | — | 1.51 |
| P-1 (No. 2) | triclinic | — | — | — | 1.61 |
| P-1 (No. 2) | triclinic | — | — | — | 4.13 |
| P-1 (No. 2) | triclinic | — | — | — | 4.46 |
Applications
Where KSb2 is used.
Frequently Asked Questions
Common questions about KSb2, answered from cross-validated data.
What is KSb2?
KSb2 is a thermodynamically stable semiconducting binary compound formed from potassium and antimony.
What is KSb2 used for?
What is the band gap of KSb2?
Is KSb2 a metal, semiconductor, or insulator?
Is KSb2 thermodynamically stable?
What is the crystal structure of KSb2?
How many polymorphs of KSb2 are known?
What elements does KSb2 contain?
Where does the data for KSb2 come from?
How It Compares
As a unique binary phase, KSb2 serves as a foundational example of potassium-antimony interactions. Without direct structural siblings in this specific class, it stands as a primary reference point for understanding how alkali metals integrate with pnictogens to form stable semiconducting frameworks.
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.
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