Cu2K2S6Zr2

Cu2K2S6Zr2 is a thermodynamically stable semiconducting quaternary sulfide compound.

CuKSZr
Crystal structure of Cu2K2S6Zr2
Ground-state structure · Materials Project
Overview

About Cu2K2S6Zr2

Cu2K2S6Zr2 is a quaternary sulfide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable material located on the convex hull, it represents a robust structural configuration within its chemical system. Its unique arrangement of copper, potassium, sulfur, and zirconium atoms provides a foundation for investigating complex chalcogenide frameworks. This compound is of interest to researchers focused on the synthesis and characterization of stable, semiconducting inorganic materials. Its presence across multiple structural databases highlights its significance as a well-defined phase in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for Cu2K2S6Zr2, aggregated across 3 databases.

Band Gap

0.59 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where Cu2K2S6Zr2 is used.

Solid-state researchSemiconductor material developmentChalcogenide structural analysis
Reference

Frequently Asked Questions

Common questions about Cu2K2S6Zr2, answered from cross-validated data.

What is Cu2K2S6Zr2?

Cu2K2S6Zr2 is a thermodynamically stable semiconducting quaternary sulfide compound.

More questions
What is Cu2K2S6Zr2 used for?
Cu2K2S6Zr2 is used in solid-state research, semiconductor material development, and chalcogenide structural analysis.
What is the band gap of Cu2K2S6Zr2?
Cu2K2S6Zr2 has a DFT-computed band gap of 0.59 eV across 3 reported structures.
Is Cu2K2S6Zr2 a metal, semiconductor, or insulator?
With a band gap up to 0.59 eV it is a semiconductor.
Is Cu2K2S6Zr2 thermodynamically stable?
Yes — Cu2K2S6Zr2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cu2K2S6Zr2 are known?
3 structures of Cu2K2S6Zr2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cu2K2S6Zr2 contain?
Cu2K2S6Zr2 contains Cu, K, S, and Zr (4 elements).
Where does the data for Cu2K2S6Zr2 come from?
Cu2K2S6Zr2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct quaternary sulfide, Cu2K2S6Zr2 serves as a specialized example of complex chalcogenide chemistry. While it lacks direct structural analogues in this specific dataset, it functions as a critical reference point for understanding the stability and electronic properties of copper-zirconium-based sulfur frameworks.

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

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