KNbCl6

KNbCl6 is a thermodynamically stable, semiconducting halide compound characterized by its well-defined structural framework.

ClKNb
Crystal structure of KNbCl6
Ground-state structure · Materials Project
Overview

About KNbCl6

KNbCl6 is a complex halide compound that sits securely on the thermodynamic convex hull, indicating robust structural stability. As a semiconducting material, it offers unique electronic properties that make it a subject of interest for fundamental solid-state research and potential electronic applications.

With multiple reported structures across major databases, this compound is well-documented for its compositional variety. Its stable nature provides a reliable platform for investigating the interplay between niobium and chlorine coordination in halide-based frameworks.

At a glance

Key Properties

Cross-validated computational properties for KNbCl6, aggregated across 3 databases.

Band Gap

1.92–2.37 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

13
3 databases, 5 space groups
Uses

Applications

Where KNbCl6 is used.

Solid-state researchMaterials science exploration
Reference

Frequently Asked Questions

Common questions about KNbCl6, answered from cross-validated data.

What is KNbCl6?

KNbCl6 is a thermodynamically stable, semiconducting halide compound characterized by its well-defined structural framework.

More questions
What is KNbCl6 used for?
KNbCl6 is used in solid-state research and materials science exploration.
What is the band gap of KNbCl6?
KNbCl6 has a DFT-computed band gap of 1.92–2.37 eV across 13 reported structures.
Is KNbCl6 a metal, semiconductor, or insulator?
With a band gap up to 2.37 eV it is a semiconductor.
Is KNbCl6 thermodynamically stable?
Yes — KNbCl6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of KNbCl6 are known?
13 structures of KNbCl6 are reported across 3 databases, spanning 5 distinct space groups.
What elements does KNbCl6 contain?
KNbCl6 contains Cl, K, and Nb (3 elements).
Where does the data for KNbCl6 come from?
KNbCl6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct halide compound, KNbCl6 serves as a representative example of stable niobium-based halides, occupying a unique position in the landscape of inorganic materials where structural integrity is paramount.

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

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