CrN2
CrN2 is a semiconducting chromium nitride compound that exhibits significant structural diversity despite its metastable nature.
About CrN2
CrN2 is a semiconducting binary compound composed of chromium and nitrogen. Its structural landscape is remarkably diverse, as evidenced by the extensive number of reported structural configurations found across various computational databases.
While it represents an interesting point in the chromium-nitrogen phase space, it is characterized as being thermodynamically unstable relative to the ground-state hull. This suggests that while it can be modeled in various arrangements, it remains a challenging target for experimental synthesis compared to more stable chromium nitrides.
Key Properties
Cross-validated computational properties for CrN2, aggregated across 4 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 CrN2 is used.
Frequently Asked Questions
Common questions about CrN2, answered from cross-validated data.
What is CrN2?
CrN2 is a semiconducting chromium nitride compound that exhibits significant structural diversity despite its metastable nature.
What is CrN2 used for?
What is the band gap of CrN2?
Is CrN2 a metal, semiconductor, or insulator?
Is CrN2 thermodynamically stable?
How many polymorphs of CrN2 are known?
What elements does CrN2 contain?
Where does the data for CrN2 come from?
How It Compares
As a member of the chromium-nitrogen binary system, CrN2 occupies a unique position where its semiconducting nature contrasts with the metallic behavior often observed in more stable, nitrogen-poor chromium nitrides. Unlike those stoichiometric phases, CrN2 exists as a metastable structure, reflecting the complex bonding competition between chromium and nitrogen at higher nitrogen concentrations.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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