HfNCl
HfNCl is a thermodynamically stable semiconducting compound containing hafnium, nitrogen, and chlorine.
About HfNCl
HfNCl is a distinct inorganic compound composed of hafnium, nitrogen, and chlorine. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental research into layered semiconducting systems.
Its electronic character as a semiconductor makes it a subject of investigation for potential electronic and optoelectronic applications. The compound is well-documented in structural databases, reflecting its importance in the study of complex nitrides and halides.
Key Properties
Cross-validated computational properties for HfNCl, 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 HfNCl is used.
Frequently Asked Questions
Common questions about HfNCl, answered from cross-validated data.
What is HfNCl?
HfNCl is a thermodynamically stable semiconducting compound containing hafnium, nitrogen, and chlorine.
What is HfNCl used for?
What is the band gap of HfNCl?
Is HfNCl a metal, semiconductor, or insulator?
Is HfNCl thermodynamically stable?
How many polymorphs of HfNCl are known?
What elements does HfNCl contain?
Where does the data for HfNCl come from?
How It Compares
As a unique member of its chemical family, HfNCl serves as a primary reference point for understanding the interplay between hafnium-based coordination and halide integration. It stands out for its structural stability, providing a baseline for exploring the electronic properties of similar layered ternary systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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