Cl2KTl

Cl2KTl is a wide-gap insulating ternary chloride that is theoretically stable and of interest for materials research.

ClKTl
Crystal structure of Cl2KTl
Ground-state structure · Materials Project
Overview

About Cl2KTl

Cl2KTl is a ternary halide compound characterized by its wide-gap insulating electronic structure. Its status as a near-hull stable material suggests it is a viable candidate for experimental synthesis and further physical investigation. The compound represents a specific arrangement of potassium, thallium, and chlorine ions. Given its insulating nature, it is primarily studied for its fundamental dielectric properties and potential applications in specialized optical or electronic components.

At a glance

Key Properties

Cross-validated computational properties for Cl2KTl, aggregated across 3 databases.

Band Gap

4.03 eV
Range across DFT structures

Energy Above Hull

0.002 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 2 space groups
Uses

Applications

Where Cl2KTl is used.

Fundamental materials researchSolid-state dielectric studiesOptical component development
Reference

Frequently Asked Questions

Common questions about Cl2KTl, answered from cross-validated data.

What is Cl2KTl?

Cl2KTl is a wide-gap insulating ternary chloride that is theoretically stable and of interest for materials research.

More questions
What is Cl2KTl used for?
Cl2KTl is used in fundamental materials research, solid-state dielectric studies, and optical component development.
What is the band gap of Cl2KTl?
Cl2KTl has a DFT-computed band gap of 4.03 eV across 5 reported structures.
Is Cl2KTl a metal, semiconductor, or insulator?
With a wide band gap up to 4.03 eV it is an insulator / wide-band-gap material.
Is Cl2KTl thermodynamically stable?
Cl2KTl has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
How many polymorphs of Cl2KTl are known?
5 structures of Cl2KTl are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cl2KTl contain?
Cl2KTl contains Cl, K, and Tl (3 elements).
Where does the data for Cl2KTl come from?
Cl2KTl data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary halide, Cl2KTl occupies a distinct niche in solid-state chemistry. While it shares structural motifs common to alkali-thallium halides, it stands out for its specific stoichiometric balance and predicted stability, positioning it as an interesting subject for researchers exploring insulating halide frameworks.

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

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