CaCl3Rb
CaCl3Rb is a thermodynamically stable, insulating ternary halide compound composed of calcium, chlorine, and rubidium.
About CaCl3Rb
CaCl3Rb is a complex halide compound composed of calcium, chlorine, and rubidium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within its chemical system. Its electronic character is defined by a wide band gap, classifying it as an insulator with significant potential for specialized dielectric or optical applications.
This material is characterized by a high degree of structural diversity, with multiple reported configurations across various databases. Its stability and insulating nature make it an interesting subject for fundamental studies in solid-state chemistry, particularly for researchers investigating ternary halide systems and their underlying lattice dynamics.
Key Properties
Cross-validated computational properties for CaCl3Rb, 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 CaCl3Rb is used.
Frequently Asked Questions
Common questions about CaCl3Rb, answered from cross-validated data.
What is CaCl3Rb?
CaCl3Rb is a thermodynamically stable, insulating ternary halide compound composed of calcium, chlorine, and rubidium.
What is CaCl3Rb used for?
What is the band gap of CaCl3Rb?
Is CaCl3Rb a metal, semiconductor, or insulator?
Is CaCl3Rb thermodynamically stable?
How many polymorphs of CaCl3Rb are known?
What elements does CaCl3Rb contain?
Where does the data for CaCl3Rb come from?
How It Compares
As a ternary halide, CaCl3Rb represents a distinct structural configuration within the broader family of alkali-alkaline earth metal halides. While it functions as a unique stoichiometric entity, it shares the general insulating characteristics common to this class of ionic solids, serving as a stable reference point for exploring halide-based material architectures.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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