Ca2PI
Ca2PI is a stable, semiconducting inorganic compound composed of calcium, phosphorus, and iodine.
About Ca2PI
Ca2PI is a distinct inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable material residing on the convex hull, it represents a robust configuration of calcium, phosphorus, and iodine atoms. Its structural integrity makes it a subject of interest for fundamental solid-state studies.
The compound is notable for its data-rich profile, with multiple reported structures across various databases. This diversity in structural arrangements highlights the complex bonding interactions present within the material, providing a foundation for future exploration in electronic and optoelectronic applications.
Key Properties
Cross-validated computational properties for Ca2PI, 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 Ca2PI is used.
Frequently Asked Questions
Common questions about Ca2PI, answered from cross-validated data.
What is Ca2PI?
Ca2PI is a stable, semiconducting inorganic compound composed of calcium, phosphorus, and iodine.
What is Ca2PI used for?
What is the band gap of Ca2PI?
Is Ca2PI a metal, semiconductor, or insulator?
Is Ca2PI thermodynamically stable?
How many polymorphs of Ca2PI are known?
What elements does Ca2PI contain?
Where does the data for Ca2PI come from?
How It Compares
As a unique inorganic phase, Ca2PI serves as a representative example of complex ternary pnictide-halide systems. Without direct structural siblings in this specific class, it stands as a standalone reference point for understanding how the integration of alkaline earth metals with pnictogen and halogen elements influences electronic behavior and structural stability.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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