Ca3N2
calcium nitride · tricalcium dinitride
Calcium nitride is a stable, semiconducting inorganic compound formed from calcium and nitrogen atoms.
About calcium nitride
Calcium nitride is a binary inorganic compound composed of calcium and nitrogen. It is characterized as a thermodynamically stable material that resides on the convex hull, indicating a robust structural identity under standard conditions. As a semiconducting material, it offers unique electronic properties that distinguish it from simple ionic salts. The compound exhibits significant structural complexity, supported by a wide array of reported configurations across various materials databases, which highlights its versatility in solid-state chemistry. Its reactivity and electronic nature make it a subject of interest for researchers investigating advanced nitrides and their potential for specialized chemical applications.
Key Properties
Cross-validated computational properties for calcium nitride, 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 calcium nitride is used.
Frequently Asked Questions
Common questions about calcium nitride, answered from cross-validated data.
What is Ca3N2?
Calcium nitride is a stable, semiconducting inorganic compound formed from calcium and nitrogen atoms.
What is Ca3N2 used for?
What is the band gap of Ca3N2?
Is Ca3N2 a metal, semiconductor, or insulator?
Is Ca3N2 thermodynamically stable?
How many polymorphs of Ca3N2 are known?
What elements does Ca3N2 contain?
Where does the data for Ca3N2 come from?
How It Compares
As a standalone representative of its specific chemical class in this context, calcium nitride serves as a foundational example of a stable alkaline earth metal nitride. Its ability to maintain structural integrity while exhibiting semiconducting behavior positions it as a key reference point for studying the bonding and electronic trends within metal-nitrogen systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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