Cs16S44Ta8
Cs16S44Ta8 is a semiconducting ternary sulfide compound containing cesium, sulfur, and tantalum that is considered a viable target for experimental synthesis.
About Cs16S44Ta8
Cs16S44Ta8 is a complex ternary sulfide composed of cesium, sulfur, and tantalum. As a semiconducting material, it represents a unique arrangement of elements that contributes to the diversity of chalcogenide chemistry. Its electronic properties suggest potential utility in specialized optoelectronic or solid-state research applications.
This compound is characterized as a near-hull phase, indicating that it is thermodynamically competitive and likely synthesizable under appropriate laboratory conditions. The existence of multiple reported structural variations underscores its significance as a subject for ongoing crystallographic and materials characterization studies.
Key Properties
Cross-validated computational properties for Cs16S44Ta8, 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 Cs16S44Ta8, 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. |
|---|---|---|---|---|---|
| Pca21 (No. 29) | orthorhombic | 1.75 | 0.0066 | -5.563 | 3.74 |
| Pca21 (No. 29) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.02 |
Applications
Where Cs16S44Ta8 is used.
Frequently Asked Questions
Common questions about Cs16S44Ta8, answered from cross-validated data.
What is Cs16S44Ta8?
Cs16S44Ta8 is a semiconducting ternary sulfide compound containing cesium, sulfur, and tantalum that is considered a viable target for experimental synthesis.
What is Cs16S44Ta8 used for?
What is the band gap of Cs16S44Ta8?
Is Cs16S44Ta8 a metal, semiconductor, or insulator?
Is Cs16S44Ta8 thermodynamically stable?
What is the crystal structure of Cs16S44Ta8?
What is the density of Cs16S44Ta8?
How many polymorphs of Cs16S44Ta8 are known?
What elements does Cs16S44Ta8 contain?
Where does the data for Cs16S44Ta8 come from?
How It Compares
As a member of the complex ternary sulfide family, Cs16S44Ta8 occupies a distinct niche where the interplay between the large cesium cations and the tantalum-sulfur framework dictates its structural behavior. While it lacks direct structural siblings in this specific dataset, it serves as a representative example of how heavy alkali metals can stabilize intricate transition metal sulfide architectures.
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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