Cs4O16S4
Cs4O16S4 is a thermodynamically stable, insulating inorganic compound characterized by a wide electronic band gap and diverse structural possibilities.
About Cs4O16S4
Cs4O16S4 is a thermodynamically stable inorganic compound that exists on the convex hull, indicating significant structural robustness. As a wide-band-gap insulator, it possesses electronic properties characteristic of materials that resist electrical conduction, making it a subject of interest for fundamental solid-state research.
The compound is noted for its structural diversity, with multiple reported configurations across major materials databases. This wealth of structural data highlights its complexity and the importance of understanding its atomic arrangement for future technological integration.
Key Properties
Cross-validated computational properties for Cs4O16S4, 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 Cs4O16S4, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.64 | 0.0000 | -6.040 | 3.40 |
| P21/c (No. 14) | monoclinic | 0.75 | 0.0045 | -6.036 | 3.32 |
| P21/m (No. 11) | monoclinic | 0.11 | 0.0168 | -6.023 | 3.50 |
| P21/c (No. 14) | monoclinic | 0.12 | 0.0180 | -6.022 | 3.24 |
| P21/c (No. 14) | monoclinic | 0.10 | 0.0193 | -6.021 | 3.11 |
| P21/c (No. 14) | monoclinic | 0.07 | 0.0258 | -6.014 | 2.96 |
| P21/c (No. 14) | monoclinic | 3.50 | 0.1065 | -5.934 | 3.22 |
| — | — | — | — | — | 2.85 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Cs4O16S4 is used.
Frequently Asked Questions
Common questions about Cs4O16S4, answered from cross-validated data.
What is Cs4O16S4?
Cs4O16S4 is a thermodynamically stable, insulating inorganic compound characterized by a wide electronic band gap and diverse structural possibilities.
What is Cs4O16S4 used for?
What is the band gap of Cs4O16S4?
Is Cs4O16S4 a metal, semiconductor, or insulator?
Is Cs4O16S4 thermodynamically stable?
What is the crystal structure of Cs4O16S4?
What is the density of Cs4O16S4?
How many polymorphs of Cs4O16S4 are known?
What elements does Cs4O16S4 contain?
Where does the data for Cs4O16S4 come from?
How It Compares
As a distinct inorganic compound, Cs4O16S4 represents a specialized structural motif within its chemical family. While it currently stands as a unique entry without direct structural siblings in this context, its position on the convex hull suggests it is a highly favorable configuration compared to other potential arrangements of its constituent elements.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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