K4S6Ti2

K4S6Ti2 is a thermodynamically stable, semiconducting ternary sulfide containing potassium, sulfur, and titanium.

KSTi
Crystal structure of K4S6Ti2
Ground-state structure · Materials Project
Overview

About K4S6Ti2

K4S6Ti2 is a ternary sulfide compound composed of potassium, sulfur, and titanium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within its chemical system. Its electronic character is defined as semiconducting, making it an interesting subject for investigations into electronic and optoelectronic material properties. The compound has been documented across multiple structural databases, reflecting its significance in solid-state chemistry research. It serves as a valuable example of how alkali metals can stabilize titanium-sulfur frameworks, providing a foundation for exploring complex chalcogenide architectures. Its stability suggests potential for synthesis and long-term utility in specialized technological applications where stable semiconducting materials are required.

At a glance

Key Properties

Cross-validated computational properties for K4S6Ti2, aggregated across 3 databases.

Band Gap

1.12 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 1 space group
Uses

Applications

Where K4S6Ti2 is used.

Solid-state electronic researchSemiconductor materials developmentChalcogenide framework investigation
Reference

Frequently Asked Questions

Common questions about K4S6Ti2, answered from cross-validated data.

What is K4S6Ti2?

K4S6Ti2 is a thermodynamically stable, semiconducting ternary sulfide containing potassium, sulfur, and titanium.

More questions
What is K4S6Ti2 used for?
K4S6Ti2 is used in solid-state electronic research, semiconductor materials development, and chalcogenide framework investigation.
What is the band gap of K4S6Ti2?
K4S6Ti2 has a DFT-computed band gap of 1.12 eV across 4 reported structures.
Is K4S6Ti2 a metal, semiconductor, or insulator?
With a band gap up to 1.12 eV it is a semiconductor.
Is K4S6Ti2 thermodynamically stable?
Yes — K4S6Ti2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of K4S6Ti2 are known?
4 structures of K4S6Ti2 are reported across 3 databases, spanning 1 distinct space group.
What elements does K4S6Ti2 contain?
K4S6Ti2 contains K, S, and Ti (3 elements).
Where does the data for K4S6Ti2 come from?
K4S6Ti2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary sulfide, K4S6Ti2 occupies a unique position in the landscape of alkali-metal titanium chalcogenides. Without direct structural siblings in this specific grouping, it stands as a primary reference point for understanding the interplay between potassium cations and titanium-sulfur polyhedra in stable, semiconducting configurations.

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

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