Li3CuS2
Li3CuS2 is a thermodynamically stable semiconducting material composed of lithium, copper, and sulfur.
About Li3CuS2
Li3CuS2 is a semiconducting compound composed of lithium, copper, and sulfur. As a thermodynamically stable material located on the convex hull, it represents a robust phase within its chemical system, making it a subject of interest for fundamental materials science studies.
Its electronic character suggests potential utility in specialized semiconductor applications. With numerous reported structures across multiple databases, this material is well-documented, providing researchers with a reliable foundation for investigating its physical and chemical behavior.
Key Properties
Cross-validated computational properties for Li3CuS2, 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 Li3CuS2 is used.
Frequently Asked Questions
Common questions about Li3CuS2, answered from cross-validated data.
What is Li3CuS2?
Li3CuS2 is a thermodynamically stable semiconducting material composed of lithium, copper, and sulfur.
What is Li3CuS2 used for?
What is the band gap of Li3CuS2?
Is Li3CuS2 a metal, semiconductor, or insulator?
Is Li3CuS2 thermodynamically stable?
How many polymorphs of Li3CuS2 are known?
What elements does Li3CuS2 contain?
Where does the data for Li3CuS2 come from?
How It Compares
As a thermodynamically stable phase, Li3CuS2 serves as a foundational reference point for exploring the complex interplay between lithium-copper-sulfur arrangements, standing as a primary candidate for experimental validation within this chemical space.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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