CaYZn2
CaYZn2 is a semimetallic ternary intermetallic compound that resides near the thermodynamic stability limit, making it a promising candidate for experimental synthesis.
About CaYZn2
CaYZn2 is a complex ternary intermetallic compound composed of calcium, yttrium, and zinc. Its electronic structure characterizes it as a semimetallic material, positioning it at the intersection of metallic and semiconducting behavior due to its near-zero-gap nature.
This compound is notable for its proximity to the thermodynamic stability hull, suggesting it is a viable candidate for experimental synthesis. With multiple reported structures across various databases, it represents a significant subject for researchers investigating the structural diversity of ternary zinc-based systems.
Key Properties
Cross-validated computational properties for CaYZn2, 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 CaYZn2 is used.
Frequently Asked Questions
Common questions about CaYZn2, answered from cross-validated data.
What is CaYZn2?
CaYZn2 is a semimetallic ternary intermetallic compound that resides near the thermodynamic stability limit, making it a promising candidate for experimental synthesis.
What is CaYZn2 used for?
What is the band gap of CaYZn2?
Is CaYZn2 a metal, semiconductor, or insulator?
Is CaYZn2 thermodynamically stable?
How many polymorphs of CaYZn2 are known?
What elements does CaYZn2 contain?
Where does the data for CaYZn2 come from?
How It Compares
As a unique ternary intermetallic, CaYZn2 serves as a foundational example of how combining alkaline earth, rare earth, and transition metals can yield stable, semimetallic phases that warrant further exploration in solid-state chemistry.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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