C18Fe6O18S4
This is a semiconducting iron-based complex containing carbon, oxygen, and sulfur that is currently studied for its structural diversity.
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.
Key Properties
Cross-validated computational properties for C18Fe6O18S4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for C18Fe6O18S4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.93 | 0.6646 | -7.583 | 2.08 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.10 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.06 |
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.
What is the band gap of C18Fe6O18S4?
Is C18Fe6O18S4 a metal, semiconductor, or insulator?
Is C18Fe6O18S4 thermodynamically stable?
What is the crystal structure of C18Fe6O18S4?
What is the density of C18Fe6O18S4?
How many polymorphs of C18Fe6O18S4 are known?
What elements does C18Fe6O18S4 contain?
Where does the data for C18Fe6O18S4 come from?
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
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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