TiNCl
TiNCl is a thermodynamically stable, semiconducting inorganic compound composed of titanium, nitrogen, and chlorine.
About TiNCl
TiNCl is a distinct inorganic compound that exhibits semiconducting electronic behavior. As a thermodynamically stable material residing on the convex hull, it represents a robust structural configuration that is of significant interest for fundamental materials research.
Its unique composition of titanium, nitrogen, and chlorine positions it as a subject of interest for those studying layered inorganic structures. With multiple reported crystal structures, it serves as a valuable case study for understanding phase stability and electronic modulation in non-metallic inorganic systems.
Key Properties
Cross-validated computational properties for TiNCl, 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 TiNCl is used.
Frequently Asked Questions
Common questions about TiNCl, answered from cross-validated data.
What is TiNCl?
TiNCl is a thermodynamically stable, semiconducting inorganic compound composed of titanium, nitrogen, and chlorine.
What is TiNCl used for?
What is the band gap of TiNCl?
Is TiNCl a metal, semiconductor, or insulator?
Is TiNCl thermodynamically stable?
How many polymorphs of TiNCl are known?
What elements does TiNCl contain?
Where does the data for TiNCl come from?
How It Compares
As a standalone material in this context, TiNCl serves as a primary example of a stable, semiconducting halide-nitride system. Its position on the convex hull highlights its structural integrity, making it a benchmark for future investigations into similar ternary inorganic compounds.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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