Cl6Na3Ti
Cl6Na3Ti is a metastable, near-zero-gap semimetallic compound composed of sodium, titanium, and chlorine.
About Cl6Na3Ti
Cl6Na3Ti is a complex inorganic compound characterized by a near-zero-gap electronic structure, placing it in the semimetallic regime. As a metastable phase, it represents a specialized configuration of chlorine, sodium, and titanium atoms that requires specific synthesis conditions to maintain its structural integrity.
Its electronic nature makes it a subject of interest for fundamental research into how transition metal halides behave under varying coordination environments. While its metastable status suggests it is not a common industrial commodity, it serves as a valuable case study for understanding the stability limits of ternary halide systems.
Key Properties
Cross-validated computational properties for Cl6Na3Ti, 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 Cl6Na3Ti is used.
Frequently Asked Questions
Common questions about Cl6Na3Ti, answered from cross-validated data.
What is Cl6Na3Ti?
Cl6Na3Ti is a metastable, near-zero-gap semimetallic compound composed of sodium, titanium, and chlorine.
What is Cl6Na3Ti used for?
What is the band gap of Cl6Na3Ti?
Is Cl6Na3Ti a metal, semiconductor, or insulator?
Is Cl6Na3Ti thermodynamically stable?
How many polymorphs of Cl6Na3Ti are known?
What elements does Cl6Na3Ti contain?
Where does the data for Cl6Na3Ti come from?
How It Compares
As a unique ternary halide, Cl6Na3Ti occupies a niche position within inorganic chemistry. Unlike more conventional, highly stable ionic salts, this compound exhibits semimetallic behavior, highlighting the diverse electronic landscapes possible when titanium is integrated into a sodium-chloride framework.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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