Li4CuF5
Li4CuF5 is a semiconducting lithium copper fluoride compound that exhibits metastable thermodynamic characteristics.
About Li4CuF5
Li4CuF5 is a complex fluoride compound composed of lithium, copper, and fluorine. As a semiconducting material, it exhibits unique electronic properties that distinguish it from standard ionic insulators, making it a subject of interest for fundamental solid-state research.
Due to its position above the thermodynamic hull, this compound is considered metastable. While it has been documented across multiple structural databases, its synthesis and long-term stability remain challenging, highlighting its role as a specialized subject within materials science exploration.
Key Properties
Cross-validated computational properties for Li4CuF5, 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.
Frequently Asked Questions
Common questions about Li4CuF5, answered from cross-validated data.
What is Li4CuF5?
Li4CuF5 is a semiconducting lithium copper fluoride compound that exhibits metastable thermodynamic characteristics.
What is the band gap of Li4CuF5?
Is Li4CuF5 a metal, semiconductor, or insulator?
Is Li4CuF5 thermodynamically stable?
How many polymorphs of Li4CuF5 are known?
What elements does Li4CuF5 contain?
Where does the data for Li4CuF5 come from?
How It Compares
As a unique fluoride phase, Li4CuF5 occupies a distinct niche in materials science. Unlike more common, highly stable binary fluorides, this compound represents a more complex structural arrangement that requires specific conditions to access, reflecting the broader challenges of stabilizing multi-component lithium-copper-fluorine systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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