KNa4Cl5
KNa4Cl5 is a wide-gap insulating alkali metal chloride that is theoretically predicted to be stable enough for experimental synthesis.
About KNa4Cl5
KNa4Cl5 is an insulating halide compound characterized by a wide electronic band gap. As a salt-like material, it exhibits structural properties typical of complex alkali metal halides, making it a subject of interest for fundamental materials research. Its composition highlights the intricate interplay between potassium and sodium cations within a chloride framework.
Due to its near-hull thermodynamic stability, this compound is considered a likely candidate for successful laboratory synthesis. The existence of multiple reported structures across various databases underscores its potential for structural diversity and its role as a representative of complex alkali chloride systems.
Key Properties
Cross-validated computational properties for KNa4Cl5, 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.
Applications
Where KNa4Cl5 is used.
Frequently Asked Questions
Common questions about KNa4Cl5, answered from cross-validated data.
What is KNa4Cl5?
KNa4Cl5 is a wide-gap insulating alkali metal chloride that is theoretically predicted to be stable enough for experimental synthesis.
What is KNa4Cl5 used for?
What is the band gap of KNa4Cl5?
Is KNa4Cl5 a metal, semiconductor, or insulator?
Is KNa4Cl5 thermodynamically stable?
How many polymorphs of KNa4Cl5 are known?
What elements does KNa4Cl5 contain?
Where does the data for KNa4Cl5 come from?
How It Compares
As a unique alkali halide, KNa4Cl5 serves as a distinct example of how multiple alkali metal cations can be integrated into a single chloride lattice to achieve a stable, insulating crystalline framework.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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