C18Fe6O18S4

This is a semiconducting iron-based complex containing carbon, oxygen, and sulfur that is currently studied for its structural diversity.

CFeOS
Crystal structure of C18Fe6O18S4
Ground-state structure · Materials Project
Overview

About C18Fe6O18S4

C18Fe6O18S4 is a complex inorganic compound featuring iron, carbon, oxygen, and sulfur. As a semiconducting material, it represents a unique intersection of metallic and non-metallic elements that influences its electronic behavior in solid-state systems.

Due to its position above the thermodynamic hull, this compound is considered metastable. Its existence across multiple reported structures highlights its role as a subject of interest for researchers investigating complex iron-sulfur-carbon coordination environments.

At a glance

Key Properties

Cross-validated computational properties for C18Fe6O18S4, aggregated across 3 databases.

Band Gap

1.93 eV
Range across DFT structures

Energy Above Hull

0.665 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

5
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about C18Fe6O18S4, answered from cross-validated data.

What is C18Fe6O18S4?

This is a semiconducting iron-based complex containing carbon, oxygen, and sulfur that is currently studied for its structural diversity.

More questions
What is the band gap of C18Fe6O18S4?
C18Fe6O18S4 has a DFT-computed band gap of 1.93 eV across 5 reported structures.
Is C18Fe6O18S4 a metal, semiconductor, or insulator?
With a band gap up to 1.93 eV it is a semiconductor.
Is C18Fe6O18S4 thermodynamically stable?
C18Fe6O18S4 has a lowest energy above hull of 0.665 eV/atom (above hull).
How many polymorphs of C18Fe6O18S4 are known?
5 structures of C18Fe6O18S4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C18Fe6O18S4 contain?
C18Fe6O18S4 contains C, Fe, O, and S (4 elements).
Where does the data for C18Fe6O18S4 come from?
C18Fe6O18S4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a singular entry in this specific chemical space, C18Fe6O18S4 serves as a benchmark for understanding how iron-sulfur-carbon frameworks maintain structural integrity despite being thermodynamically unstable.

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

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