KC2N3
KC2N3 is a thermodynamically stable, wide-band-gap insulating material composed of potassium, carbon, and nitrogen.
About KC2N3
KC2N3 is a distinct inorganic compound characterized by its insulating electronic nature and wide-band-gap profile. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a subject of interest for researchers investigating complex carbon-nitrogen-potassium systems. The compound has been identified across multiple structural databases, reflecting its significance in computational materials discovery. As a stable insulator, it serves as a foundational building block for exploring the synthesis and behavior of nitrogen-rich frameworks. Its structural variety suggests potential for tuning properties through different atomic arrangements, providing a versatile platform for experimental and theoretical studies in solid-state chemistry.
Key Properties
Cross-validated computational properties for KC2N3, 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 KC2N3 is used.
Frequently Asked Questions
Common questions about KC2N3, answered from cross-validated data.
What is KC2N3?
KC2N3 is a thermodynamically stable, wide-band-gap insulating material composed of potassium, carbon, and nitrogen.
What is KC2N3 used for?
What is the band gap of KC2N3?
Is KC2N3 a metal, semiconductor, or insulator?
Is KC2N3 thermodynamically stable?
How many polymorphs of KC2N3 are known?
What elements does KC2N3 contain?
Where does the data for KC2N3 come from?
How It Compares
As a unique member of its chemical system, KC2N3 represents a stable configuration that stands out for its insulating behavior. While it does not have direct structural siblings in this specific dataset, its stability relative to other potential phases in the C-N-K system highlights its importance as a benchmark for understanding how alkali metals integrate into carbon-nitrogen networks.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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