BaN2Nb
BaN2Nb is a stable semiconducting ternary nitride compound containing barium, nitrogen, and niobium.
About BaN2Nb
BaN2Nb is a complex nitridoniobate that exists as a thermodynamically stable phase on the convex hull. Its electronic character as a semiconductor makes it an intriguing subject for materials research, particularly in the study of ternary nitrogen-based compounds involving transition metals and alkaline earth elements.
With multiple reported structures across various databases, this material demonstrates significant structural diversity. Its stability suggests it could be synthesized and utilized in specialized technological environments where specific semiconducting properties are required.
Key Properties
Cross-validated computational properties for BaN2Nb, 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 BaN2Nb is used.
Frequently Asked Questions
Common questions about BaN2Nb, answered from cross-validated data.
What is BaN2Nb?
BaN2Nb is a stable semiconducting ternary nitride compound containing barium, nitrogen, and niobium.
What is BaN2Nb used for?
What is the band gap of BaN2Nb?
Is BaN2Nb a metal, semiconductor, or insulator?
Is BaN2Nb thermodynamically stable?
How many polymorphs of BaN2Nb are known?
What elements does BaN2Nb contain?
Where does the data for BaN2Nb come from?
How It Compares
As a member of the nitridoniobate family, BaN2Nb represents a unique structural configuration within this class of materials. While it lacks direct siblings in this context, its position on the convex hull distinguishes it as a robust candidate for further investigation compared to less stable, metastable phases often encountered in complex nitride systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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