C16I8S24

C16I8S24 is a complex semiconducting compound containing carbon, iodine, and sulfur that is currently being studied for its structural properties.

CIS
Crystal structure of C16I8S24 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

About C16I8S24

C16I8S24 is a complex molecular framework composed of carbon, iodine, and sulfur. As a semiconducting material, it represents a specialized arrangement of these elements that warrants further investigation into its electronic behavior and potential structural configurations.

Due to its position relative to the thermodynamic hull, this compound is considered potentially unstable under standard conditions. Its limited presence in existing databases highlights it as a niche material that remains a subject of ongoing structural research.

At a glance

Key Properties

Cross-validated computational properties for C16I8S24, aggregated across 3 databases.

Band Gap

1.66 eV
Range across DFT structures

Energy Above Hull

0.110 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

3
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for C16I8S24, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/c (No. 15)monoclinic1.660.1104-5.5072.51
2.52
No. 0unknown0.37
Reference

Frequently Asked Questions

Common questions about C16I8S24, answered from cross-validated data.

What is C16I8S24?

C16I8S24 is a complex semiconducting compound containing carbon, iodine, and sulfur that is currently being studied for its structural properties.

More questions
What is the band gap of C16I8S24?
C16I8S24 has a DFT-computed band gap of 1.66 eV across 3 reported structures.
Is C16I8S24 a metal, semiconductor, or insulator?
With a band gap up to 1.66 eV it is a semiconductor.
Is C16I8S24 thermodynamically stable?
C16I8S24 has a lowest energy above hull of 0.110 eV/atom (above hull).
What is the crystal structure of C16I8S24?
The lowest-energy reported polymorph of C16I8S24 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of C16I8S24?
The computed density of the ground-state structure of C16I8S24 is 2.51 g/cm³.
How many polymorphs of C16I8S24 are known?
3 structures of C16I8S24 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C16I8S24 contain?
C16I8S24 contains C, I, and S (3 elements).
Where does the data for C16I8S24 come from?
C16I8S24 data is cross-referenced from materials_project, omat24, cod.
Comparison

How It Compares

As a unique composition within its chemical space, C16I8S24 serves as a distinct example of how carbon, iodine, and sulfur can be integrated into a semiconducting framework, providing a baseline for future studies of similar multi-element molecular structures.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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