Cs4F4O12S4
Cs4F4O12S4 is a thermodynamically stable, insulating inorganic compound with a complex structural framework.
About Cs4F4O12S4
Cs4F4O12S4 is a complex inorganic compound characterized by its wide-gap insulating electronic profile. Its position on the convex hull confirms that it is a thermodynamically stable material, making it a subject of interest for fundamental structural studies in solid-state chemistry. The material exhibits a well-defined structural framework that supports its stability under ambient conditions. Researchers utilize this compound to investigate the behavior of complex sulfur-oxygen-fluorine networks in the presence of cesium cations. Its insulating nature suggests potential utility in applications requiring dielectric stability or as a precursor in specialized chemical synthesis.
Key Properties
Cross-validated computational properties for Cs4F4O12S4, 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 Cs4F4O12S4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.16 | 0.0000 | -5.894 | 3.14 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 3.13 |
Applications
Where Cs4F4O12S4 is used.
Frequently Asked Questions
Common questions about Cs4F4O12S4, answered from cross-validated data.
What is Cs4F4O12S4?
Cs4F4O12S4 is a thermodynamically stable, insulating inorganic compound with a complex structural framework.
What is Cs4F4O12S4 used for?
What is the band gap of Cs4F4O12S4?
Is Cs4F4O12S4 a metal, semiconductor, or insulator?
Is Cs4F4O12S4 thermodynamically stable?
What is the crystal structure of Cs4F4O12S4?
What is the density of Cs4F4O12S4?
How many polymorphs of Cs4F4O12S4 are known?
What elements does Cs4F4O12S4 contain?
Where does the data for Cs4F4O12S4 come from?
How It Compares
As a unique inorganic compound, Cs4F4O12S4 occupies a distinct niche in materials science. While it does not share a direct structural family with other common compounds in this database, its thermodynamic stability and wide-gap electronic character distinguish it as a robust candidate for further exploration in materials design.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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