Ca2VN3
Ca2VN3 is a thermodynamically stable semiconducting ternary nitride compound.
About Ca2VN3
Ca2VN3 is a distinct ternary nitride compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within its chemical system.
Its stability and electronic properties make it a subject of interest for researchers investigating new nitride-based semiconductors. The compound has been documented across multiple structural databases, highlighting its significance in the study of complex ternary systems.
Key Properties
Cross-validated computational properties for Ca2VN3, 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 Ca2VN3 is used.
Frequently Asked Questions
Common questions about Ca2VN3, answered from cross-validated data.
What is Ca2VN3?
Ca2VN3 is a thermodynamically stable semiconducting ternary nitride compound.
What is Ca2VN3 used for?
What is the band gap of Ca2VN3?
Is Ca2VN3 a metal, semiconductor, or insulator?
Is Ca2VN3 thermodynamically stable?
How many polymorphs of Ca2VN3 are known?
What elements does Ca2VN3 contain?
Where does the data for Ca2VN3 come from?
How It Compares
As a unique ternary nitride, Ca2VN3 serves as a foundational example of stable calcium-vanadium-nitrogen chemistry, demonstrating the potential for complex semiconducting behavior in nitrides that lack extensive structural analogs.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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