KClO2
potassium chlorite · potassium chlorite
Potassium chlorite is a semiconducting inorganic salt that exists in a metastable state.
About potassium chlorite
Potassium chlorite is a semiconducting compound composed of potassium, chlorine, and oxygen. It represents a specific chemical arrangement within the broader family of chlorite salts, characterized by its distinct electronic behavior.
Due to its position relative to the thermodynamic hull, this material is considered metastable. Its structural diversity is highlighted by multiple reported configurations across various databases, making it a subject of interest for researchers studying the stability of oxyhalide systems.
Key Properties
Cross-validated computational properties for potassium chlorite, 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 KClO2. 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 KClO2, 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. |
|---|---|---|---|---|---|
| — | — | 2.16 | 0.2614 | -0.984 | — |
| Cmcm (No. 63) | orthorhombic | 2.23 | 0.2629 | -0.787 | — |
| Cmcm (No. 63) | orthorhombic | 2.35 | 0.3385 | -4.255 | 2.28 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.09 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 2.45 |
| P21/m (No. 11) | monoclinic | — | — | — | 1.70 |
| P21/m (No. 11) | monoclinic | — | — | — | 1.38 |
| Cmme (No. 67) | orthorhombic | — | — | — | 2.62 |
| P21/m (No. 11) | monoclinic | — | — | — | 1.45 |
| Cmm2 (No. 35) | orthorhombic | — | — | — | 3.01 |
| Cmme (No. 67) | orthorhombic | — | — | — | 2.40 |
Applications
Where potassium chlorite is used.
Frequently Asked Questions
Common questions about potassium chlorite, answered from cross-validated data.
What is KClO2?
Potassium chlorite is a semiconducting inorganic salt that exists in a metastable state.
What is KClO2 used for?
What is the band gap of KClO2?
Is KClO2 a metal, semiconductor, or insulator?
Is KClO2 thermodynamically stable?
What is the crystal structure of KClO2?
What is the density of KClO2?
How many polymorphs of KClO2 are known?
What elements does KClO2 contain?
Where does the data for KClO2 come from?
How It Compares
As a representative of the chlorite class, potassium chlorite serves as a fundamental case study for understanding the structural and electronic trends of alkali metal chlorites. It provides a baseline for evaluating the stability and semiconducting nature of similar oxygen-rich chlorine compounds.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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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