Cs2CuI6Pr

Cs2CuI6Pr is a metastable semiconducting quaternary iodide compound used primarily in advanced materials research.

CsCuIPr
Crystal structure of Cs2CuI6Pr
Ground-state structure · Materials Project
Overview

About Cs2CuI6Pr

Cs2CuI6Pr is a complex quaternary iodide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized configuration within the broader family of halide-based materials, offering unique structural arrangements for fundamental investigation. Its existence in multiple reported structures highlights its relevance in solid-state chemistry research, where researchers examine how the incorporation of praseodymium influences the electronic environment of the copper-iodide framework. This compound is primarily utilized in academic and experimental settings to probe the limits of structural stability and electronic tuning in inorganic halides.

At a glance

Key Properties

Cross-validated computational properties for Cs2CuI6Pr, aggregated across 3 databases.

Band Gap

1.78 eV
Range across DFT structures

Energy Above Hull

0.049 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where Cs2CuI6Pr is used.

Solid-state chemistry researchFundamental materials science studiesElectronic property exploration
Reference

Frequently Asked Questions

Common questions about Cs2CuI6Pr, answered from cross-validated data.

What is Cs2CuI6Pr?

Cs2CuI6Pr is a metastable semiconducting quaternary iodide compound used primarily in advanced materials research.

More questions
What is Cs2CuI6Pr used for?
Cs2CuI6Pr is used in solid-state chemistry research, fundamental materials science studies, and electronic property exploration.
What is the band gap of Cs2CuI6Pr?
Cs2CuI6Pr has a DFT-computed band gap of 1.78 eV across 3 reported structures.
Is Cs2CuI6Pr a metal, semiconductor, or insulator?
With a band gap up to 1.78 eV it is a semiconductor.
Is Cs2CuI6Pr thermodynamically stable?
Cs2CuI6Pr has a lowest energy above hull of 0.049 eV/atom (metastable).
How many polymorphs of Cs2CuI6Pr are known?
3 structures of Cs2CuI6Pr are reported across 3 databases, spanning 1 distinct space group.
What elements does Cs2CuI6Pr contain?
Cs2CuI6Pr contains Cs, Cu, I, and Pr (4 elements).
Where does the data for Cs2CuI6Pr come from?
Cs2CuI6Pr data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique quaternary halide, Cs2CuI6Pr serves as a distinct example of how rare-earth elements can be integrated into complex lattice structures, setting it apart from simpler binary or ternary halide systems that typically dominate the class.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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