BaCeN2
BaCeN2 is a thermodynamically stable semiconducting ternary nitride containing barium and cerium.
About BaCeN2
BaCeN2 is a complex ternary nitride that exists in a thermodynamically stable state on the convex hull. As a semiconducting material, it represents a specialized niche in inorganic chemistry, characterized by the integration of barium and cerium within a nitrogen-based framework.
Its stability and electronic nature make it a subject of interest for researchers investigating new functional materials. With multiple reported structures, it serves as a foundational example for understanding the bonding and phase behavior of rare-earth-containing ternary nitrides.
Key Properties
Cross-validated computational properties for BaCeN2, 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 BaCeN2 is used.
Frequently Asked Questions
Common questions about BaCeN2, answered from cross-validated data.
What is BaCeN2?
BaCeN2 is a thermodynamically stable semiconducting ternary nitride containing barium and cerium.
What is BaCeN2 used for?
What is the band gap of BaCeN2?
Is BaCeN2 a metal, semiconductor, or insulator?
Is BaCeN2 thermodynamically stable?
How many polymorphs of BaCeN2 are known?
What elements does BaCeN2 contain?
Where does the data for BaCeN2 come from?
How It Compares
As a member of the ternary nitride family, BaCeN2 occupies a distinct position due to its stable electronic configuration. While many nitrides in this class remain difficult to synthesize or characterize, this compound is notable for its well-defined structural presence, providing a stable baseline for exploring the properties of complex metal nitrides.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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