Ba2CaI6
Ba2CaI6 is an insulating metal-halide compound that is considered a stable candidate for potential use in radiation detection and optical technologies.
About Ba2CaI6
Ba2CaI6 is an insulating halide compound characterized by its wide electronic band gap. Its structural configuration suggests it is a thermodynamically stable phase, making it a viable candidate for experimental synthesis and characterization within the broader landscape of complex metal halides.
This material is of significant interest due to its potential utility in optoelectronics and high-energy radiation sensing. Its electronic properties are typical of insulating salts, which are often leveraged in applications requiring high transparency or specific scintillation responses.
Key Properties
Cross-validated computational properties for Ba2CaI6, 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 Ba2CaI6 is used.
Frequently Asked Questions
Common questions about Ba2CaI6, answered from cross-validated data.
What is Ba2CaI6?
Ba2CaI6 is an insulating metal-halide compound that is considered a stable candidate for potential use in radiation detection and optical technologies.
What is Ba2CaI6 used for?
What is the band gap of Ba2CaI6?
Is Ba2CaI6 a metal, semiconductor, or insulator?
Is Ba2CaI6 thermodynamically stable?
How many polymorphs of Ba2CaI6 are known?
What elements does Ba2CaI6 contain?
Where does the data for Ba2CaI6 come from?
How It Compares
As a distinct halide, Ba2CaI6 occupies a specialized niche within the class of ternary alkaline-earth iodides. While it lacks direct structural siblings in this specific dataset, it serves as a representative example of the structural diversity possible in complex iodide systems, demonstrating the stability required for potential implementation in solid-state devices.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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