KIO3
Potassium iodate · Iodic acid potassium salt
Potassium iodate is a stable, insulating salt widely used as an oxidizing agent and a source of iodine in nutritional supplements.
About Potassium iodate
Potassium iodate is a thermodynamically stable inorganic compound that exists as a wide-gap insulator. Its structural reliability and chemical robustness make it a highly significant material in both industrial and laboratory settings.
Due to its stable nature and well-documented structural diversity, this compound serves as a critical reagent in various chemical processes. It is widely utilized where reliable oxidation-reduction reactions are required, particularly in food science and analytical titration.
Key Properties
Cross-validated computational properties for Potassium iodate, 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 KIO3. 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 KIO3, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 2.79 | 0.0000 | -4.866 | 4.05 |
| R3m (No. 160) | trigonal | 2.60 | 0.0000 | -1.069 | — |
| — | — | 2.55 | 0.0000 | -1.233 | — |
| R3 (No. 146) | trigonal | 2.85 | 0.0011 | -4.865 | 4.04 |
| R3c (No. 161) | trigonal | 2.85 | 0.0014 | -4.865 | 4.05 |
| I222 (No. 23) | orthorhombic | 3.54 | 0.0048 | -4.862 | 4.05 |
| R3 (No. 146) | trigonal | 2.53 | 0.0062 | -4.860 | 3.85 |
| R3m (No. 160) | trigonal | 2.58 | 0.0068 | -4.860 | 4.07 |
| — | — | 2.30 | 0.0083 | -1.225 | — |
| — | — | 2.18 | 0.0104 | -1.223 | — |
| C2 (No. 5) | monoclinic | 2.81 | 0.0104 | -4.856 | 3.80 |
| — | — | 2.22 | 0.0110 | -1.222 | — |
Applications
Where Potassium iodate is used.
Frequently Asked Questions
Common questions about Potassium iodate, answered from cross-validated data.
What is KIO3?
Potassium iodate is a stable, insulating salt widely used as an oxidizing agent and a source of iodine in nutritional supplements.
What is KIO3 used for?
What is the band gap of KIO3?
Is KIO3 a metal, semiconductor, or insulator?
Is KIO3 thermodynamically stable?
What is the crystal structure of KIO3?
What is the density of KIO3?
How many polymorphs of KIO3 are known?
What elements does KIO3 contain?
Where does the data for KIO3 come from?
How It Compares
As a thermodynamically stable and structurally well-characterized material, potassium iodate represents a foundational example of an iodate-based insulator, serving as a reliable benchmark for stability and performance within its chemical class.
Data sources & attribution
- 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)
- 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)
- 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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