Li6Br3N
Li6Br3N is a semiconducting ternary compound containing lithium, bromine, and nitrogen that is considered a viable candidate for experimental synthesis.
About Li6Br3N
Li6Br3N is a complex lithium-based compound that exhibits semiconducting electronic properties. Its structural configuration suggests it is a near-hull material, indicating that it is likely synthesizable under appropriate experimental conditions.
Given its status as a data-rich compound with multiple reported structural variations, it serves as an important subject for researchers exploring novel ionic conductors or battery-related materials. Its unique composition of lithium, bromine, and nitrogen positions it as a significant entry in the study of complex ternary halides and nitrides.
Key Properties
Cross-validated computational properties for Li6Br3N, 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 Li6Br3N is used.
Frequently Asked Questions
Common questions about Li6Br3N, answered from cross-validated data.
What is Li6Br3N?
Li6Br3N is a semiconducting ternary compound containing lithium, bromine, and nitrogen that is considered a viable candidate for experimental synthesis.
What is Li6Br3N used for?
What is the band gap of Li6Br3N?
Is Li6Br3N a metal, semiconductor, or insulator?
Is Li6Br3N thermodynamically stable?
How many polymorphs of Li6Br3N are known?
What elements does Li6Br3N contain?
Where does the data for Li6Br3N come from?
How It Compares
As a unique ternary compound, Li6Br3N occupies a specialized niche in materials science. It serves as a foundational example of how lithium-rich halide-nitride frameworks can be engineered to achieve semiconducting behavior, providing a baseline for future explorations into similar multicomponent systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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