KClO3
Potassium chlorate · Potassium salt of chloric acid
Potassium chlorate is a reactive, insulating salt widely used as a powerful oxidizing agent in pyrotechnics and chemical manufacturing.
About Potassium chlorate
Potassium chlorate is a crystalline inorganic compound that functions as a potent oxidizer. As a wide-gap insulator, it is characterized by its ability to store energy in a metastable state, making it highly effective for applications requiring rapid oxygen release or combustion support.
Its importance stems from its role in energetic materials and chemical synthesis. Because it is a metastable substance, it requires careful handling, yet this same property allows it to serve as a reliable source of oxygen in specialized industrial and laboratory settings.
Key Properties
Cross-validated computational properties for Potassium chlorate, 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 KClO3. 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 KClO3, 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. |
|---|---|---|---|---|---|
| — | — | — | 0.0156 | -1.051 | — |
| — | — | 5.61 | 0.0192 | -1.047 | — |
| — | — | 5.08 | 0.0399 | -1.026 | — |
| Pnma (No. 62) | orthorhombic | 5.57 | 0.0509 | -4.714 | 2.20 |
| P21/m (No. 11) | monoclinic | 5.47 | 0.0509 | -4.713 | 2.20 |
| R3m (No. 160) | trigonal | 5.23 | 0.0620 | -4.702 | 2.28 |
| R3m (No. 160) | trigonal | 5.04 | 0.0633 | -0.779 | — |
| P21/m (No. 11) | monoclinic | 5.47 | 0.0655 | -0.777 | — |
| Pnma (No. 62) | orthorhombic | 5.58 | 0.0656 | -0.777 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 2.21 |
| R3m (No. 160) | trigonal | — | — | — | 2.40 |
| P21/m (No. 11) | monoclinic | — | — | — | 2.29 |
Applications
Where Potassium chlorate is used.
Frequently Asked Questions
Common questions about Potassium chlorate, answered from cross-validated data.
What is KClO3?
Potassium chlorate is a reactive, insulating salt widely used as a powerful oxidizing agent in pyrotechnics and chemical manufacturing.
What is KClO3 used for?
What is the band gap of KClO3?
Is KClO3 a metal, semiconductor, or insulator?
Is KClO3 thermodynamically stable?
What is the crystal structure of KClO3?
What is the density of KClO3?
How many polymorphs of KClO3 are known?
What elements does KClO3 contain?
Where does the data for KClO3 come from?
How It Compares
As a prominent chlorate, this compound stands as a fundamental reference point for oxidizing salts. Unlike more stable mineral salts, its metastable nature defines its utility in applications where controlled reactivity is prioritized over long-term environmental persistence.
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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