Zr2N2O
Zr2N2O is a stable, semiconducting oxynitride compound that is widely documented in structural databases for its potential in advanced materials applications.
About Zr2N2O
Zr2N2O is a distinct oxynitride compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, marking it as a robust candidate for structural and electronic investigations.
With a high volume of reported structures across major databases, this compound is a well-documented subject in materials informatics. Its unique combination of zirconium, nitrogen, and oxygen allows it to serve as a foundational building block for exploring complex ceramic and semiconductor architectures.
Key Properties
Cross-validated computational properties for Zr2N2O, 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 Zr2N2O is used.
Frequently Asked Questions
Common questions about Zr2N2O, answered from cross-validated data.
What is Zr2N2O?
Zr2N2O is a stable, semiconducting oxynitride compound that is widely documented in structural databases for its potential in advanced materials applications.
What is Zr2N2O used for?
What is the band gap of Zr2N2O?
Is Zr2N2O a metal, semiconductor, or insulator?
Is Zr2N2O thermodynamically stable?
How many polymorphs of Zr2N2O are known?
What elements does Zr2N2O contain?
Where does the data for Zr2N2O come from?
How It Compares
As a thermodynamically stable oxynitride, Zr2N2O occupies a specialized niche in materials science. It serves as a representative example of how zirconium-based systems can be tuned through anionic substitution to achieve stable semiconducting behavior.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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