KIO3
Potassium iodate · Iodic acid potassium salt
Potassium iodate is an inorganic salt that acts as a strong oxidizing agent. It is widely utilized in food production as a maturing agent and as a source of iodine in nutritional supplements.
IKO
Overview
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.
0.26–3.54 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
25
3 databases, 11 space groups
Crystallography
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 |
| 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 | 2.57 | 0.0068 | -4.860 | 4.07 |
| C2 (No. 5) | monoclinic | 2.81 | 0.0104 | -4.856 | 3.80 |
| P21/c (No. 14) | monoclinic | 1.09 | 0.0259 | -4.800 | 4.05 |
| Fdd2 (No. 43) | orthorhombic | 0.00 | 0.0828 | -4.743 | 3.97 |
| Pca21 (No. 29) | orthorhombic | 0.26 | 0.0925 | -4.733 | 3.99 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0992 | -4.727 | 3.90 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1196 | -4.690 | 4.25 |
Uses
Applications
Where Potassium iodate is used.
Food additiveDietary supplementAnalytical chemistry reagentAntiseptic agent
Reference
Frequently Asked Questions
Common questions about Potassium iodate, answered from cross-validated data.
What is KIO3?
Potassium iodate is an inorganic salt that acts as a strong oxidizing agent. It is widely utilized in food production as a maturing agent and as a source of iodine in nutritional supplements.
More questions
What is KIO3 used for?
Potassium iodate (KIO3) is used in food additive, dietary supplement, analytical chemistry reagent, and antiseptic agent.
What is the band gap of KIO3?
Potassium iodate (KIO3) has a DFT-computed band gap of 0.26–3.54 eV across 25 reported structures.
Is KIO3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.54 eV it is an insulator / wide-band-gap material.
Is KIO3 thermodynamically stable?
Yes — Potassium iodate (KIO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KIO3?
The lowest-energy reported polymorph of Potassium iodate (KIO3) is triclinic symmetry, space group P1 (No. 1).
What is the density of KIO3?
The computed density of the ground-state structure of Potassium iodate (KIO3) is 4.05 g/cm³.
How many polymorphs of KIO3 are known?
25 structures of KIO3 are reported across 3 databases, spanning 11 distinct space groups.
What elements does KIO3 contain?
Potassium iodate (KIO3) contains I, K, and O (3 elements).
Where does the data for KIO3 come from?
KIO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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