KCrS2

KCrS2 is a thermodynamically stable semiconducting ternary sulfide used in materials science research.

CrKS
Crystal structure of KCrS2
Ground-state structure · Materials Project
Overview

About KCrS2

KCrS2 is a ternary sulfide compound characterized by its stable semiconducting nature. As a material residing on the convex hull, it exhibits significant thermodynamic robustness, making it a reliable candidate for fundamental studies in solid-state chemistry and electronic material design. The compound has been extensively documented across multiple structural databases, reflecting its well-defined crystalline identity. Its electronic properties suggest potential utility in specialized semiconductor applications where stable, sulfur-based frameworks are required for performance. By leveraging its unique structural configuration, researchers continue to investigate its behavior under varying physical conditions to unlock new functional capabilities.

At a glance

Key Properties

Cross-validated computational properties for KCrS2, aggregated across 3 databases.

Band Gap

1.16 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

15
3 databases, 10 space groups
Uses

Applications

Where KCrS2 is used.

Solid-state electronics researchSemiconductor materials developmentFundamental condensed matter studies
Reference

Frequently Asked Questions

Common questions about KCrS2, answered from cross-validated data.

What is KCrS2?

KCrS2 is a thermodynamically stable semiconducting ternary sulfide used in materials science research.

More questions
What is KCrS2 used for?
KCrS2 is used in solid-state electronics research, semiconductor materials development, and fundamental condensed matter studies.
What is the band gap of KCrS2?
KCrS2 has a DFT-computed band gap of 1.16 eV across 15 reported structures.
Is KCrS2 a metal, semiconductor, or insulator?
With a band gap up to 1.16 eV it is a semiconductor.
Is KCrS2 thermodynamically stable?
Yes — KCrS2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of KCrS2 are known?
15 structures of KCrS2 are reported across 3 databases, spanning 10 distinct space groups.
What elements does KCrS2 contain?
KCrS2 contains Cr, K, and S (3 elements).
Where does the data for KCrS2 come from?
KCrS2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable member of the ternary sulfide family, KCrS2 serves as a foundational example of how alkali metals and transition metals can form robust, semiconducting frameworks. It provides a benchmark for stability and structural integrity within its class, offering a clear reference point for analyzing the electronic and physical properties of related sulfur-based compounds.

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

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