TiBrN
TiBrN is a thermodynamically stable semiconducting compound composed of titanium, bromine, and nitrogen.
About TiBrN
TiBrN is a distinct inorganic compound characterized by its semiconducting electronic nature. As a material that sits on the convex hull, it exhibits notable thermodynamic stability, making it a subject of interest for researchers investigating stable ternary phases containing titanium, bromine, and nitrogen.
Given its structural diversity, with multiple reported configurations across databases, this compound serves as a valuable entry point for understanding the interplay between transition metals and p-block elements. Its stability profile suggests potential for synthesis and further functional exploration in solid-state chemistry.
Key Properties
Cross-validated computational properties for TiBrN, 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.
Frequently Asked Questions
Common questions about TiBrN, answered from cross-validated data.
What is TiBrN?
TiBrN is a thermodynamically stable semiconducting compound composed of titanium, bromine, and nitrogen.
What is the band gap of TiBrN?
Is TiBrN a metal, semiconductor, or insulator?
Is TiBrN thermodynamically stable?
How many polymorphs of TiBrN are known?
What elements does TiBrN contain?
Where does the data for TiBrN come from?
How It Compares
As a unique ternary phase, TiBrN represents a specialized structural arrangement within the broader landscape of titanium-based halides and nitrides. Without direct structural siblings in this specific chemical family, it stands as a singular example of how these elements can integrate into a stable, semiconducting lattice.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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