CaN6
CaN6 is a metastable, nitrogen-rich calcium compound characterized by its insulating electronic properties.
About CaN6
CaN6 is a nitrogen-rich calcium compound that exists in a metastable state. As a wide-band-gap insulator, it represents a unique configuration of alkaline earth metal and nitrogen bonding, drawing interest for its potential as a high-energy density material.
Its structural complexity is highlighted by the multiple reported configurations found in research databases. These diverse arrangements reflect the intricate interplay between the calcium cations and the nitrogen-rich anionic framework, which is critical for understanding its stability and potential reactivity.
Key Properties
Cross-validated computational properties for CaN6, 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 CaN6 is used.
Frequently Asked Questions
Common questions about CaN6, answered from cross-validated data.
What is CaN6?
CaN6 is a metastable, nitrogen-rich calcium compound characterized by its insulating electronic properties.
What is CaN6 used for?
What is the band gap of CaN6?
Is CaN6 a metal, semiconductor, or insulator?
Is CaN6 thermodynamically stable?
How many polymorphs of CaN6 are known?
What elements does CaN6 contain?
Where does the data for CaN6 come from?
How It Compares
As a specialized nitrogen-rich inorganic compound, CaN6 occupies a distinct niche in materials science. Unlike more common stable salts, its metastable nature and insulating electronic character make it a focus for researchers exploring novel high-energy density storage and advanced chemical synthesis pathways.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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