LiBiS2
LiBiS2 is a stable semiconducting compound composed of lithium, bismuth, and sulfur that is frequently studied for its diverse structural configurations.

About LiBiS2
LiBiS2 is a semiconducting ternary sulfide that maintains a thermodynamically stable position on the convex hull. Its structural versatility is evidenced by the numerous reported configurations found across major materials databases, highlighting its significance in solid-state chemistry research. The compound serves as a subject of interest for researchers investigating the electronic properties of lithium-based chalcogenides. Its stability and semiconducting nature make it a candidate for further exploration in functional material design and energy-related applications.
Key Properties
Cross-validated computational properties for LiBiS2, 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 LiBiS2 is used.
Frequently Asked Questions
Common questions about LiBiS2, answered from cross-validated data.
What is LiBiS2?
LiBiS2 is a stable semiconducting compound composed of lithium, bismuth, and sulfur that is frequently studied for its diverse structural configurations.
What is LiBiS2 used for?
What is the band gap of LiBiS2?
Is LiBiS2 a metal, semiconductor, or insulator?
Is LiBiS2 thermodynamically stable?
How many polymorphs of LiBiS2 are known?
What elements does LiBiS2 contain?
Where does the data for LiBiS2 come from?
How It Compares
As a stable ternary sulfide, LiBiS2 represents a distinct structural archetype within the broader landscape of lithium-bismuth-sulfur systems, serving as a foundational material for understanding complex phase behavior in these multi-element compounds.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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