Ba3BiN
Ba3BiN is a thermodynamically stable semiconducting ternary nitride containing barium, bismuth, and nitrogen.

About Ba3BiN
Ba3BiN is a complex ternary nitride composed of barium, bismuth, and nitrogen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that has been identified across multiple crystallographic databases. Its electronic character is defined as semiconducting, making it an intriguing candidate for specialized electronic and optoelectronic research.
This compound is notable for its structural diversity, with numerous reported configurations highlighting its versatility in solid-state chemistry. By integrating heavy bismuth with alkaline earth barium, the material offers a unique platform for investigating narrow-gap semiconductor physics and potential applications in emerging material technologies.
Key Properties
Cross-validated computational properties for Ba3BiN, 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 Ba3BiN is used.
Frequently Asked Questions
Common questions about Ba3BiN, answered from cross-validated data.
What is Ba3BiN?
Ba3BiN is a thermodynamically stable semiconducting ternary nitride containing barium, bismuth, and nitrogen.
What is Ba3BiN used for?
What is the band gap of Ba3BiN?
Is Ba3BiN a metal, semiconductor, or insulator?
Is Ba3BiN thermodynamically stable?
How many polymorphs of Ba3BiN are known?
What elements does Ba3BiN contain?
Where does the data for Ba3BiN come from?
How It Compares
As a distinct ternary nitride, Ba3BiN serves as a primary example of the complex bonding environments possible within this chemical space. Unlike simpler binary nitrides, its composition allows for unique electronic tuning, positioning it as a significant subject of study for researchers exploring the intersection of heavy metal chemistry and semiconducting behavior.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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