K3ClO
K3ClO is a thermodynamically stable semiconducting compound composed of potassium, chlorine, and oxygen.
About K3ClO
K3ClO is a distinct inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of potassium, chlorine, and oxygen atoms.
Its stability and electronic profile make it a subject of interest for researchers investigating novel semiconducting materials. With multiple reported structures across various databases, it serves as a significant reference point for understanding complex ternary systems.
Key Properties
Cross-validated computational properties for K3ClO, 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.
Reported Structures
Lowest-energy structures reported for K3ClO, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.08 | 0.0004 | -3.677 | 2.09 |
| Amm2 (No. 38) | orthorhombic | 1.03 | 0.0075 | -3.670 | 2.10 |
| Pm (No. 6) | monoclinic | 0.99 | 0.0180 | -3.660 | 2.06 |
| Amm2 (No. 38) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 1.95 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.02 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.04 |
| Pm (No. 6) | Monoclinic | — | — | — | 1.96 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.08 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 1.99 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.08 |
Applications
Where K3ClO is used.
Frequently Asked Questions
Common questions about K3ClO, answered from cross-validated data.
What is K3ClO?
K3ClO is a thermodynamically stable semiconducting compound composed of potassium, chlorine, and oxygen.
What is K3ClO used for?
What is the band gap of K3ClO?
Is K3ClO a metal, semiconductor, or insulator?
Is K3ClO thermodynamically stable?
What is the crystal structure of K3ClO?
What is the density of K3ClO?
How many polymorphs of K3ClO are known?
What elements does K3ClO contain?
Where does the data for K3ClO come from?
How It Compares
As a unique ternary compound, K3ClO occupies a specialized niche in materials science, serving as a foundational example of stable, semiconducting inorganic phases that do not rely on traditional doping mechanisms found in more common binary semiconductors.
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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