B4Ba4Li4S12
B4Ba4Li4S12 is a stable semiconducting quaternary sulfide compound composed of boron, barium, lithium, and sulfur.
About B4Ba4Li4S12
B4Ba4Li4S12 is a complex quaternary sulfide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of boron, barium, lithium, and sulfur atoms.
This material is of significant interest in solid-state chemistry due to its structural stability and electronic properties. Its existence within multiple databases highlights its importance as a subject for ongoing investigation into the fundamental behavior of mixed-cation sulfide systems.
Key Properties
Cross-validated computational properties for B4Ba4Li4S12, 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 B4Ba4Li4S12 is used.
Frequently Asked Questions
Common questions about B4Ba4Li4S12, answered from cross-validated data.
What is B4Ba4Li4S12?
B4Ba4Li4S12 is a stable semiconducting quaternary sulfide compound composed of boron, barium, lithium, and sulfur.
What is B4Ba4Li4S12 used for?
What is the band gap of B4Ba4Li4S12?
Is B4Ba4Li4S12 a metal, semiconductor, or insulator?
Is B4Ba4Li4S12 thermodynamically stable?
How many polymorphs of B4Ba4Li4S12 are known?
What elements does B4Ba4Li4S12 contain?
Where does the data for B4Ba4Li4S12 come from?
How It Compares
As a unique quaternary compound, B4Ba4Li4S12 serves as a foundational example of how boron and lithium can be integrated into a barium-sulfide framework to achieve thermodynamic stability, setting a benchmark for future exploration of similar complex chalcogenide systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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