ZrIN
ZrIN is a thermodynamically stable, semiconducting ternary compound containing zirconium, iodine, and nitrogen.
About ZrIN
ZrIN is a distinct ternary compound composed of zirconium, iodine, and nitrogen. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within its chemical system, offering a unique structural framework for further investigation. Its electronic character is defined as semiconducting, positioning it as a candidate for specialized electronic or optoelectronic applications where specific band structures are required. The material has been the subject of significant structural analysis, with multiple configurations documented across various databases, highlighting its complexity and the interest it garners in solid-state chemistry. This depth of data underscores its potential utility in developing novel inorganic materials with tailored physical properties.
Key Properties
Cross-validated computational properties for ZrIN, 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 ZrIN is used.
Frequently Asked Questions
Common questions about ZrIN, answered from cross-validated data.
What is ZrIN?
ZrIN is a thermodynamically stable, semiconducting ternary compound containing zirconium, iodine, and nitrogen.
What is ZrIN used for?
What is the band gap of ZrIN?
Is ZrIN a metal, semiconductor, or insulator?
Is ZrIN thermodynamically stable?
How many polymorphs of ZrIN are known?
What elements does ZrIN contain?
Where does the data for ZrIN come from?
How It Compares
As a unique ternary nitride-iodide, ZrIN occupies a specialized niche in materials science. Without direct structural siblings in this specific chemical class, it stands as a primary reference point for understanding the interplay between heavy halogen anions and transition metal-nitrogen networks in stable solid-state architectures.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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