K2CuCl3

K2CuCl3 is a semiconducting ternary halide compound that is considered a promising candidate for experimental synthesis.

ClCuK
Crystal structure of K2CuCl3
Ground-state structure · Materials Project
Overview

About K2CuCl3

K2CuCl3 is a ternary copper-based halide that exhibits semiconducting electronic behavior. Its structural characteristics and composition place it as an intriguing subject for materials scientists exploring halide-based functional materials.

Because it is identified as a near-hull phase, this compound is considered a viable target for experimental synthesis. Its existence across multiple structural databases highlights its potential stability and relevance within the broader landscape of complex inorganic halides.

At a glance

Key Properties

Cross-validated computational properties for K2CuCl3, aggregated across 4 databases.

Band Gap

2.05 eV
Range across DFT structures

Energy Above Hull

0.001 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

6
4 databases, 2 space groups
Uses

Applications

Where K2CuCl3 is used.

Optoelectronic researchSolid-state chemistry studiesHalide-based material development
Reference

Frequently Asked Questions

Common questions about K2CuCl3, answered from cross-validated data.

What is K2CuCl3?

K2CuCl3 is a semiconducting ternary halide compound that is considered a promising candidate for experimental synthesis.

More questions
What is K2CuCl3 used for?
K2CuCl3 is used in optoelectronic research, solid-state chemistry studies, and halide-based material development.
What is the band gap of K2CuCl3?
K2CuCl3 has a DFT-computed band gap of 2.05 eV across 6 reported structures.
Is K2CuCl3 a metal, semiconductor, or insulator?
With a band gap up to 2.05 eV it is a semiconductor.
Is K2CuCl3 thermodynamically stable?
K2CuCl3 has a lowest energy above hull of 0.001 eV/atom (near hull (likely stable)).
How many polymorphs of K2CuCl3 are known?
6 structures of K2CuCl3 are reported across 4 databases, spanning 2 distinct space groups.
What elements does K2CuCl3 contain?
K2CuCl3 contains Cl, Cu, and K (3 elements).
Where does the data for K2CuCl3 come from?
K2CuCl3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary halide, K2CuCl3 serves as a foundational example of copper-potassium-chloride systems. It represents a distinct structural configuration within the halide family, providing a baseline for understanding how varying stoichiometry influences the electronic properties of similar metal-halide frameworks.

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

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