Li5CuF6
Li5CuF6 is a metastable, semiconducting inorganic compound composed of lithium, copper, and fluorine.
About Li5CuF6
Li5CuF6 is a complex fluoride material characterized by its semiconducting electronic nature. As a metastable compound, it represents a unique structural arrangement within the lithium-copper-fluorine system, offering insights into the coordination chemistry of transition metal fluorides.
Its significance lies in its role as a subject of structural exploration, with multiple reported configurations documented across materials databases. This compound is primarily of interest to researchers investigating the fundamental properties of metastable inorganic phases and their potential for specialized electronic applications.
Key Properties
Cross-validated computational properties for Li5CuF6, 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 Li5CuF6 is used.
Frequently Asked Questions
Common questions about Li5CuF6, answered from cross-validated data.
What is Li5CuF6?
Li5CuF6 is a metastable, semiconducting inorganic compound composed of lithium, copper, and fluorine.
What is Li5CuF6 used for?
What is the band gap of Li5CuF6?
Is Li5CuF6 a metal, semiconductor, or insulator?
Is Li5CuF6 thermodynamically stable?
How many polymorphs of Li5CuF6 are known?
What elements does Li5CuF6 contain?
Where does the data for Li5CuF6 come from?
How It Compares
As a member of the broader family of lithium-based transition metal fluorides, Li5CuF6 stands out for its metastable nature and specific semiconducting behavior. While many related fluoride systems are studied for their ionic conductivity or magnetic properties, this compound serves as a distinct example of how copper can be integrated into a lithium-rich fluoride lattice to achieve a semiconducting state.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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