CaPbI4
CaPbI4 is a thermodynamically stable, wide-band-gap insulating compound composed of calcium, lead, and iodine.
About CaPbI4
CaPbI4 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of calcium, lead, and iodine atoms.
Its structural diversity is highlighted by numerous reported configurations across major material databases. This stability and structural variety make it a subject of interest for researchers investigating the fundamental properties of heavy-metal halide systems.
Key Properties
Cross-validated computational properties for CaPbI4, 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.
Frequently Asked Questions
Common questions about CaPbI4, answered from cross-validated data.
What is CaPbI4?
CaPbI4 is a thermodynamically stable, wide-band-gap insulating compound composed of calcium, lead, and iodine.
What is the band gap of CaPbI4?
Is CaPbI4 a metal, semiconductor, or insulator?
Is CaPbI4 thermodynamically stable?
How many polymorphs of CaPbI4 are known?
What elements does CaPbI4 contain?
Where does the data for CaPbI4 come from?
How It Compares
As a unique inorganic halide, CaPbI4 serves as a distinct example of stable, wide-band-gap materials within the broader landscape of complex metal iodides, providing a baseline for understanding structural stability in this class of compounds.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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