Cs6S27Ti6

Cs6S27Ti6 is a stable, semiconducting ternary compound containing cesium, sulfur, and titanium.

CsSTi
Crystal structure of Cs6S27Ti6
Ground-state structure · Materials Project
Overview

About Cs6S27Ti6

Cs6S27Ti6 is a complex ternary compound composed of cesium, sulfur, and titanium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.

This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for specialized electronic and optoelectronic research. Its unique stoichiometry and sulfur-rich framework suggest potential utility in applications requiring specific charge transport properties or complex coordination environments.

At a glance

Key Properties

Cross-validated computational properties for Cs6S27Ti6, aggregated across 3 databases.

Band Gap

0.81 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 Cs6S27Ti6 is used.

Semiconductor researchSolid-state chemistryMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Cs6S27Ti6, answered from cross-validated data.

What is Cs6S27Ti6?

Cs6S27Ti6 is a stable, semiconducting ternary compound containing cesium, sulfur, and titanium.

More questions
What is Cs6S27Ti6 used for?
Cs6S27Ti6 is used in semiconductor research, solid-state chemistry, and materials science exploration.
What is the band gap of Cs6S27Ti6?
Cs6S27Ti6 has a DFT-computed band gap of 0.81 eV across 3 reported structures.
Is Cs6S27Ti6 a metal, semiconductor, or insulator?
With a band gap up to 0.81 eV it is a semiconductor.
Is Cs6S27Ti6 thermodynamically stable?
Yes — Cs6S27Ti6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Cs6S27Ti6 are known?
3 structures of Cs6S27Ti6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cs6S27Ti6 contain?
Cs6S27Ti6 contains Cs, S, and Ti (3 elements).
Where does the data for Cs6S27Ti6 come from?
Cs6S27Ti6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary sulfide, Cs6S27Ti6 occupies a unique niche in materials science. While many titanium-sulfur systems are studied for their catalytic or battery-related properties, this specific phase stands out due to its thermodynamic stability and specific atomic configuration, which differentiates it from simpler binary or ternary metal sulfides.

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

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