Ca3VN3
Ca3VN3 is a thermodynamically stable semiconducting nitride compound.
About Ca3VN3
Ca3VN3 is a complex ternary nitride that exists as a thermodynamically stable phase on the convex hull. Its electronic character as a semiconductor makes it a subject of interest for researchers investigating new functional materials in the nitride family.
Given its structural diversity across multiple databases, this compound serves as a critical reference point for understanding the bonding and stability of calcium-based nitrogen-rich systems. It represents a stable building block for exploring advanced electronic and optoelectronic material architectures.
Key Properties
Cross-validated computational properties for Ca3VN3, 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 Ca3VN3 is used.
Frequently Asked Questions
Common questions about Ca3VN3, answered from cross-validated data.
What is Ca3VN3?
Ca3VN3 is a thermodynamically stable semiconducting nitride compound.
What is Ca3VN3 used for?
What is the band gap of Ca3VN3?
Is Ca3VN3 a metal, semiconductor, or insulator?
Is Ca3VN3 thermodynamically stable?
How many polymorphs of Ca3VN3 are known?
What elements does Ca3VN3 contain?
Where does the data for Ca3VN3 come from?
How It Compares
As a unique ternary nitride, Ca3VN3 occupies a distinct position in materials science, serving as a foundational example of stable calcium-vanadium-nitrogen chemistry where few direct analogs exist for comparative benchmarking.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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