KSbF6
Potassium hexafluoroantimonate · Potassium fluoroantimonate
Potassium hexafluoroantimonate is a stable, insulating salt used primarily as a chemical reagent and electrolyte component.
About Potassium hexafluoroantimonate
Potassium hexafluoroantimonate is a stable inorganic salt characterized by its insulating electronic nature. As a member of the hexafluoroantimonate family, it serves as a reliable source of the non-coordinating hexafluoroantimonate anion, which is highly valued for stabilizing reactive cations in diverse chemical environments.
Its thermodynamic stability ensures robust performance in applications requiring chemical inertness and structural integrity. The compound is frequently utilized in specialized synthetic chemistry and as a component in advanced electrolyte formulations where high electrochemical stability is required.
Key Properties
Cross-validated computational properties for Potassium hexafluoroantimonate, 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.
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 KSbF6. 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 KSbF6, 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. |
|---|---|---|---|---|---|
| — | — | 5.65 | 0.0000 | -2.857 | — |
| Ia-3 (No. 206) | cubic | 4.98 | 0.0000 | -4.993 | 3.55 |
| P42/mcm (No. 132) | tetragonal | 4.78 | 0.0000 | -2.642 | — |
| Ia-3 (No. 206) | cubic | 5.01 | 0.0025 | -2.639 | — |
| P42/mcm (No. 132) | tetragonal | 4.93 | 0.0038 | -4.989 | 3.49 |
| P42/mcm (No. 132) | tetragonal | 4.95 | 0.0056 | -2.636 | — |
| — | — | 5.31 | 0.0170 | -2.840 | — |
| — | — | 5.30 | 0.0171 | -2.840 | — |
| — | — | 5.13 | 0.0196 | -2.838 | — |
| — | — | 5.13 | 0.0324 | -2.825 | — |
| — | — | 4.92 | 0.0582 | -2.799 | — |
| P42/mcm (No. 132) | tetragonal | — | — | — | 3.20 |
Applications
Where Potassium hexafluoroantimonate is used.
Frequently Asked Questions
Common questions about Potassium hexafluoroantimonate, answered from cross-validated data.
What is KSbF6?
Potassium hexafluoroantimonate is a stable, insulating salt used primarily as a chemical reagent and electrolyte component.
What is KSbF6 used for?
What is the band gap of KSbF6?
Is KSbF6 a metal, semiconductor, or insulator?
Is KSbF6 thermodynamically stable?
What is the crystal structure of KSbF6?
What is the density of KSbF6?
How many polymorphs of KSbF6 are known?
What elements does KSbF6 contain?
Where does the data for KSbF6 come from?
How It Compares
As a standalone representative of the hexafluoroantimonate class, this compound is prized for its structural reliability and chemical consistency. Unlike more reactive or moisture-sensitive salts, its position on the convex hull makes it a preferred choice for researchers seeking a stable, well-characterized fluoride-based reagent.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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