BaCN2
barium cyanamide · barium carbodiimide
Barium cyanamide is a stable, semiconducting inorganic material primarily studied for its unique chemical structure and potential utility in materials research.
About barium cyanamide
Barium cyanamide is a distinct inorganic compound that exists as a thermodynamically stable phase on the convex hull. Its semiconducting electronic character makes it an intriguing subject for researchers investigating the intersection of carbon-nitrogen frameworks and alkaline earth metals.
Due to its structural diversity, this material has been documented across multiple databases, highlighting its significance in solid-state chemistry. It serves as a foundational example for understanding the bonding and stability of metal cyanamides in various crystalline environments.
Key Properties
Cross-validated computational properties for barium cyanamide, 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 barium cyanamide is used.
Frequently Asked Questions
Common questions about barium cyanamide, answered from cross-validated data.
What is BaCN2?
Barium cyanamide is a stable, semiconducting inorganic material primarily studied for its unique chemical structure and potential utility in materials research.
What is BaCN2 used for?
What is the band gap of BaCN2?
Is BaCN2 a metal, semiconductor, or insulator?
Is BaCN2 thermodynamically stable?
How many polymorphs of BaCN2 are known?
What elements does BaCN2 contain?
Where does the data for BaCN2 come from?
How It Compares
As a stable member of the metal cyanamide family, this compound represents a well-defined structural archetype. It serves as a primary reference point for studying the electronic and physical properties of alkaline earth cyanamides, providing a baseline for comparing the behavior of related metal-carbon-nitrogen systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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