LiCu6OF11
LiCu6OF11 is a metastable, semimetallic inorganic compound composed of lithium, copper, oxygen, and fluorine.
About LiCu6OF11
LiCu6OF11 is a complex inorganic compound composed of lithium, copper, oxygen, and fluorine. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime, which makes it an intriguing subject for fundamental condensed matter research. Being a metastable phase, it represents a specific structural configuration that requires precise synthesis conditions to access and maintain. The compound is notable for its structural diversity, supported by a significant number of reported entries across major materials databases. This extensive documentation highlights its importance in exploring complex chemical spaces where transition metals and halides coexist.
Key Properties
Cross-validated computational properties for LiCu6OF11, 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 LiCu6OF11 is used.
Frequently Asked Questions
Common questions about LiCu6OF11, answered from cross-validated data.
What is LiCu6OF11?
LiCu6OF11 is a metastable, semimetallic inorganic compound composed of lithium, copper, oxygen, and fluorine.
What is LiCu6OF11 used for?
What is the band gap of LiCu6OF11?
Is LiCu6OF11 a metal, semiconductor, or insulator?
Is LiCu6OF11 thermodynamically stable?
How many polymorphs of LiCu6OF11 are known?
What elements does LiCu6OF11 contain?
Where does the data for LiCu6OF11 come from?
How It Compares
As a unique metastable phase, LiCu6OF11 occupies a specialized niche in materials science, serving as a case study for the stability and electronic behavior of copper-based oxyfluorides. Without direct structural siblings in this specific class, it stands as a distinct example of how multi-anionic frameworks can tune electronic behavior toward semimetallic characteristics.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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