Cl12O2S2Ti2

Cl12O2S2Ti2 is a semiconducting inorganic compound that is considered a viable candidate for experimental synthesis.

ClOSTi
Crystal structure of Cl12O2S2Ti2
Ground-state structure · Materials Project
Overview

About Cl12O2S2Ti2

Cl12O2S2Ti2 is a complex inorganic compound composed of chlorine, oxygen, sulfur, and titanium. Its electronic character identifies it as a semiconductor, positioning it as a subject of interest for electronic and optoelectronic material studies.

As a near-hull material, this compound is considered likely synthesizable under appropriate experimental conditions. The existence of multiple reported structural variations across databases underscores its significance as a candidate for further investigation in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for Cl12O2S2Ti2, aggregated across 4 databases.

Band Gap

2.66 eV
Range across DFT structures

Energy Above Hull

0.021 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

9
4 databases, 3 space groups
Uses

Applications

Where Cl12O2S2Ti2 is used.

Materials science researchSolid-state chemistry studiesSemiconductor development
Reference

Frequently Asked Questions

Common questions about Cl12O2S2Ti2, answered from cross-validated data.

What is Cl12O2S2Ti2?

Cl12O2S2Ti2 is a semiconducting inorganic compound that is considered a viable candidate for experimental synthesis.

More questions
What is Cl12O2S2Ti2 used for?
Cl12O2S2Ti2 is used in materials science research, solid-state chemistry studies, and semiconductor development.
What is the band gap of Cl12O2S2Ti2?
Cl12O2S2Ti2 has a DFT-computed band gap of 2.66 eV across 9 reported structures.
Is Cl12O2S2Ti2 a metal, semiconductor, or insulator?
With a band gap up to 2.66 eV it is a semiconductor.
Is Cl12O2S2Ti2 thermodynamically stable?
Cl12O2S2Ti2 has a lowest energy above hull of 0.021 eV/atom (near hull (likely stable)).
How many polymorphs of Cl12O2S2Ti2 are known?
9 structures of Cl12O2S2Ti2 are reported across 4 databases, spanning 3 distinct space groups.
What elements does Cl12O2S2Ti2 contain?
Cl12O2S2Ti2 contains Cl, O, S, and Ti (4 elements).
Where does the data for Cl12O2S2Ti2 come from?
Cl12O2S2Ti2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic complex, Cl12O2S2Ti2 serves as a specialized example of titanium-based sulfur-chlorine chemistry, representing a distinct structural configuration within its chemical family.

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

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