CS3

Carbon trisulfide is an unstable, semiconducting binary compound consisting of carbon and sulfur atoms.

CS
Crystal structure of CS3
Ground-state structure · Materials Project
Overview

About CS3

Carbon trisulfide is an intriguing binary compound composed of carbon and sulfur. As a semiconducting material, it represents a specialized niche in carbon-sulfur chemistry, drawing interest from researchers exploring non-traditional bonding environments in chalcogenide systems.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under ambient conditions. Its existence in numerous reported structures suggests a complex energy landscape that continues to be a subject of computational investigation.

At a glance

Key Properties

Cross-validated computational properties for CS3, aggregated across 2 databases.

Band Gap

0.17 eV
Range across DFT structures

Energy Above Hull

0.658 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

34
2 databases, 12 space groups
Reference

Frequently Asked Questions

Common questions about CS3, answered from cross-validated data.

What is CS3?

Carbon trisulfide is an unstable, semiconducting binary compound consisting of carbon and sulfur atoms.

More questions
What is the band gap of CS3?
CS3 has a DFT-computed band gap of 0.17 eV across 34 reported structures.
Is CS3 a metal, semiconductor, or insulator?
With a band gap up to 0.17 eV it is a semiconductor.
Is CS3 thermodynamically stable?
CS3 has a lowest energy above hull of 0.658 eV/atom (above hull).
How many polymorphs of CS3 are known?
34 structures of CS3 are reported across 2 databases, spanning 12 distinct space groups.
What elements does CS3 contain?
CS3 contains C and S (2 elements).
Where does the data for CS3 come from?
CS3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary carbon-sulfur phase, this compound serves as a distinct point of study within the broader landscape of carbon-based chalcogenides, highlighting the challenges of synthesizing and stabilizing high-sulfur-content carbon materials.

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

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