Cl6K3La

Cl6K3La is an insulating ternary chloride compound composed of potassium, lanthanum, and chlorine.

ClKLa
Crystal structure of Cl6K3La
Ground-state structure · Materials Project
Overview

About Cl6K3La

Cl6K3La is a complex chloride compound characterized by its wide-band-gap insulating electronic profile. As a multi-component halide, it represents a niche structural arrangement of potassium, lanthanum, and chlorine atoms, reflecting the diverse coordination chemistry possible within ternary chloride systems.

While this compound is noted for its structural variety across multiple databases, its position above the thermodynamic hull suggests it may be metastable under standard conditions. Its study is primarily focused on understanding the fundamental bonding and structural stability of lanthanum-based halide complexes.

At a glance

Key Properties

Cross-validated computational properties for Cl6K3La, aggregated across 3 databases.

Band Gap

4.57 eV
Range across DFT structures

Energy Above Hull

0.105 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

4
3 databases, 1 space group
Uses

Applications

Where Cl6K3La is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Cl6K3La, answered from cross-validated data.

What is Cl6K3La?

Cl6K3La is an insulating ternary chloride compound composed of potassium, lanthanum, and chlorine.

More questions
What is Cl6K3La used for?
Cl6K3La is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of Cl6K3La?
Cl6K3La has a DFT-computed band gap of 4.57 eV across 4 reported structures.
Is Cl6K3La a metal, semiconductor, or insulator?
With a wide band gap up to 4.57 eV it is an insulator / wide-band-gap material.
Is Cl6K3La thermodynamically stable?
Cl6K3La has a lowest energy above hull of 0.105 eV/atom (above hull).
How many polymorphs of Cl6K3La are known?
4 structures of Cl6K3La are reported across 3 databases, spanning 1 distinct space group.
What elements does Cl6K3La contain?
Cl6K3La contains Cl, K, and La (3 elements).
Where does the data for Cl6K3La come from?
Cl6K3La data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary chloride, Cl6K3La serves as a specific case study in the broader landscape of lanthanum-potassium halide systems, where the interplay between ionic radii and coordination geometry dictates the formation of complex lattice structures.

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

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