Li2NbS3
Li2NbS3 is a metastable semiconducting compound containing lithium, niobium, and sulfur that is primarily studied for its structural complexity.
About Li2NbS3
Li2NbS3 is a ternary sulfide compound composed of lithium, niobium, and sulfur. As a semiconducting material, it represents a complex structural arrangement that has been characterized across multiple crystallographic databases, reflecting significant interest in its atomic configuration.
Because it is classified as a metastable phase, this compound offers unique pathways for synthesis and structural transformation. Its electronic nature makes it a subject of investigation for those studying the intersection of transition metal sulfides and lithium-ion mobility.
Key Properties
Cross-validated computational properties for Li2NbS3, 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 Li2NbS3 is used.
Frequently Asked Questions
Common questions about Li2NbS3, answered from cross-validated data.
What is Li2NbS3?
Li2NbS3 is a metastable semiconducting compound containing lithium, niobium, and sulfur that is primarily studied for its structural complexity.
What is Li2NbS3 used for?
What is the band gap of Li2NbS3?
Is Li2NbS3 a metal, semiconductor, or insulator?
Is Li2NbS3 thermodynamically stable?
How many polymorphs of Li2NbS3 are known?
What elements does Li2NbS3 contain?
Where does the data for Li2NbS3 come from?
How It Compares
As a distinct ternary sulfide, Li2NbS3 occupies a specialized niche within the broader landscape of lithium-based chalcogenides. It serves as a representative example of how transition metal-sulfur frameworks can be tuned to achieve semiconducting behavior in metastable configurations.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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