Li3CuF6
Li3CuF6 is a thermodynamically stable, semiconducting fluoride compound composed of lithium, copper, and fluorine.
About Li3CuF6
Li3CuF6 is a semiconducting fluoride compound that occupies a stable position on the convex hull. Its structural integrity and electronic properties make it a subject of interest for researchers investigating complex inorganic fluorides. The material is characterized by a significant degree of structural diversity, as evidenced by its presence in multiple crystallographic databases.
Because it is thermodynamically stable, this compound serves as a reliable candidate for fundamental studies in solid-state chemistry. Its unique combination of lithium, copper, and fluorine atoms allows for a distinct electronic environment that distinguishes it from simpler binary fluorides.
Key Properties
Cross-validated computational properties for Li3CuF6, 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 Li3CuF6 is used.
Frequently Asked Questions
Common questions about Li3CuF6, answered from cross-validated data.
What is Li3CuF6?
Li3CuF6 is a thermodynamically stable, semiconducting fluoride compound composed of lithium, copper, and fluorine.
What is Li3CuF6 used for?
What is the band gap of Li3CuF6?
Is Li3CuF6 a metal, semiconductor, or insulator?
Is Li3CuF6 thermodynamically stable?
How many polymorphs of Li3CuF6 are known?
What elements does Li3CuF6 contain?
Where does the data for Li3CuF6 come from?
How It Compares
As a member of the complex fluoride family, Li3CuF6 stands out for its inherent thermodynamic stability, which provides a robust foundation for experimental and computational exploration compared to less stable, metastable phases often encountered in this chemical space.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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