Cs6I18Zr4
Cs6I18Zr4 is a thermodynamically stable, semiconducting inorganic cluster compound composed of cesium, iodine, and zirconium.
About Cs6I18Zr4
Cs6I18Zr4 is a complex inorganic compound characterized by its semiconducting electronic nature and high thermodynamic stability. As a member of the metal-halide cluster family, it occupies a unique position on the convex hull, indicating a highly favorable energetic state that makes it a subject of interest for structural chemistry studies.
This material is recognized for its structural complexity, with multiple reported configurations across various crystallographic databases. Its specific arrangement of cesium, iodine, and zirconium atoms provides a stable framework that serves as a model for understanding cluster-based semiconductor systems.
Key Properties
Cross-validated computational properties for Cs6I18Zr4, 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 Cs6I18Zr4 is used.
Frequently Asked Questions
Common questions about Cs6I18Zr4, answered from cross-validated data.
What is Cs6I18Zr4?
Cs6I18Zr4 is a thermodynamically stable, semiconducting inorganic cluster compound composed of cesium, iodine, and zirconium.
What is Cs6I18Zr4 used for?
What is the band gap of Cs6I18Zr4?
Is Cs6I18Zr4 a metal, semiconductor, or insulator?
Is Cs6I18Zr4 thermodynamically stable?
How many polymorphs of Cs6I18Zr4 are known?
What elements does Cs6I18Zr4 contain?
Where does the data for Cs6I18Zr4 come from?
How It Compares
As a distinct cluster compound, Cs6I18Zr4 represents a specialized class of zirconium-iodide frameworks. Unlike simpler binary halides, this material utilizes its complex stoichiometry to maintain stability, serving as a primary example of how metal-rich clusters can achieve semiconducting properties through precise atomic coordination.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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