Cl18K4Ta6
Cl18K4Ta6 is a thermodynamically stable, semiconducting tantalum-chloride cluster compound used in fundamental solid-state materials research.
About Cl18K4Ta6
Cl18K4Ta6 is a structurally complex inorganic compound featuring a tantalum-based cluster framework. As a thermodynamically stable phase located on the convex hull, it represents a well-defined and robust chemical entity within its structural family. Its electronic character is defined as semiconducting, making it an interesting subject for studies involving electronic transport and cluster chemistry. The material has been identified across multiple structural databases, underscoring its relevance in fundamental solid-state research. Its unique arrangement of tantalum and chlorine atoms provides a distinct platform for exploring how cluster-based architectures influence macroscopic physical properties.
Key Properties
Cross-validated computational properties for Cl18K4Ta6, aggregated across 4 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 Cl18K4Ta6 is used.
Frequently Asked Questions
Common questions about Cl18K4Ta6, answered from cross-validated data.
What is Cl18K4Ta6?
Cl18K4Ta6 is a thermodynamically stable, semiconducting tantalum-chloride cluster compound used in fundamental solid-state materials research.
What is Cl18K4Ta6 used for?
What is the band gap of Cl18K4Ta6?
Is Cl18K4Ta6 a metal, semiconductor, or insulator?
Is Cl18K4Ta6 thermodynamically stable?
How many polymorphs of Cl18K4Ta6 are known?
What elements does Cl18K4Ta6 contain?
Where does the data for Cl18K4Ta6 come from?
How It Compares
As a member of the tantalum-halide cluster family, Cl18K4Ta6 occupies a distinct position due to its specific stoichiometry and stable configuration. Unlike more common binary tantalum halides, this complex quaternary arrangement highlights the versatility of tantalum in forming stable, semiconducting cluster networks that can be tuned through the incorporation of alkali metal cations.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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