KClO4
Potassium perchlorate · Perchloric acid potassium salt
Potassium perchlorate is a stable, insulating salt frequently used as a powerful oxidizer in fireworks, explosives, and rocket propellants.
About Potassium perchlorate
Potassium perchlorate is a robust, thermodynamically stable inorganic salt that functions as a wide-gap insulator. Its structural integrity is well-documented, with numerous reported crystalline arrangements that underscore its reliability in chemical applications.
Because of its ability to act as a potent oxygen donor, this compound is essential in industries requiring controlled combustion. Its stability under ambient conditions makes it a preferred choice for high-energy formulations where safety and predictability are paramount.
Key Properties
Cross-validated computational properties for Potassium perchlorate, 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 KClO4. 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 KClO4, 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. |
|---|---|---|---|---|---|
| — | — | 5.99 | 0.0000 | -0.947 | — |
| Pnma (No. 62) | orthorhombic | 5.56 | 0.0000 | -4.878 | 2.60 |
| — | — | 5.97 | 0.0151 | -0.932 | — |
| — | — | 6.08 | 0.0332 | -0.914 | — |
| F-43m (No. 216) | cubic | 5.14 | 0.0394 | -4.839 | 2.30 |
| — | — | 5.50 | 0.0402 | -0.906 | — |
| F-43m (No. 216) | cubic | 5.41 | 0.1253 | -0.579 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 2.55 |
| F-43m (No. 216) | cubic | — | — | — | 2.21 |
| Pnma (No. 62) | orthorhombic | — | — | — | 2.37 |
| F-43m (No. 216) | cubic | — | — | — | 2.07 |
| Pnma (No. 62) | orthorhombic | — | — | — | 2.59 |
Applications
Where Potassium perchlorate is used.
Frequently Asked Questions
Common questions about Potassium perchlorate, answered from cross-validated data.
What is KClO4?
Potassium perchlorate is a stable, insulating salt frequently used as a powerful oxidizer in fireworks, explosives, and rocket propellants.
What is KClO4 used for?
What is the band gap of KClO4?
Is KClO4 a metal, semiconductor, or insulator?
Is KClO4 thermodynamically stable?
What is the crystal structure of KClO4?
What is the density of KClO4?
How many polymorphs of KClO4 are known?
What elements does KClO4 contain?
Where does the data for KClO4 come from?
How It Compares
As a prominent inorganic perchlorate, this compound serves as a benchmark for stability and performance within its chemical class, setting the standard for how alkali metal perchlorates behave in energetic applications.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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