CaZrN2
CaZrN2 is a thermodynamically stable semiconducting nitride compound composed of calcium, zirconium, and nitrogen.
About CaZrN2
CaZrN2 is a semiconducting ternary nitride that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. Its composition of calcium, zirconium, and nitrogen positions it as a unique candidate for exploring complex nitride chemistry in solid-state systems. The material is characterized by its structural diversity, with multiple reported configurations across databases. This structural flexibility makes it a subject of interest for researchers investigating new semiconducting materials with tunable electronic properties.
Key Properties
Cross-validated computational properties for CaZrN2, 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 CaZrN2 is used.
Frequently Asked Questions
Common questions about CaZrN2, answered from cross-validated data.
What is CaZrN2?
CaZrN2 is a thermodynamically stable semiconducting nitride compound composed of calcium, zirconium, and nitrogen.
What is CaZrN2 used for?
What is the band gap of CaZrN2?
Is CaZrN2 a metal, semiconductor, or insulator?
Is CaZrN2 thermodynamically stable?
How many polymorphs of CaZrN2 are known?
What elements does CaZrN2 contain?
Where does the data for CaZrN2 come from?
How It Compares
As a distinct ternary nitride, CaZrN2 serves as a foundational example of stable calcium-zirconium-based semiconductors. Without direct structural siblings in this specific class, it stands as a primary reference point for investigating the interplay between alkaline earth metals and transition metal nitrides in electronic applications.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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