Ba3CaI8
Ba3CaI8 is a metastable, semiconducting ternary iodide compound studied for its complex structural properties.
About Ba3CaI8
Ba3CaI8 is a complex iodide compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized structural arrangement that offers unique opportunities for investigating halide-based material systems.
Its existence across multiple structural databases highlights its significance in solid-state chemistry. Researchers study this compound to better understand the interplay between alkaline earth cations and halide anions in forming intricate, non-equilibrium lattice architectures.
Key Properties
Cross-validated computational properties for Ba3CaI8, 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.
Frequently Asked Questions
Common questions about Ba3CaI8, answered from cross-validated data.
What is Ba3CaI8?
Ba3CaI8 is a metastable, semiconducting ternary iodide compound studied for its complex structural properties.
What is the band gap of Ba3CaI8?
Is Ba3CaI8 a metal, semiconductor, or insulator?
Is Ba3CaI8 thermodynamically stable?
How many polymorphs of Ba3CaI8 are known?
What elements does Ba3CaI8 contain?
Where does the data for Ba3CaI8 come from?
How It Compares
As a unique iodide-based material, Ba3CaI8 serves as a distinct case study for metastable phase formation within inorganic halide chemistry. Unlike more common, highly stable halide salts, this compound demonstrates the structural complexity that can arise in ternary systems, providing a valuable reference point for predicting the behavior of similar alkaline earth iodide frameworks.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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