K2S8Si2Y2
K2S8Si2Y2 is a stable, semiconducting quaternary sulfide compound containing potassium, sulfur, silicon, and yttrium.
About K2S8Si2Y2
K2S8Si2Y2 is a complex quaternary sulfide compound that exhibits semiconducting electronic behavior. Its position on the thermodynamic convex hull indicates that it is a stable phase, making it a subject of interest for researchers investigating novel chalcogenide materials with tunable electronic properties. The compound integrates potassium, sulfur, silicon, and yttrium into a distinct structural framework that warrants further exploration for potential optoelectronic or solid-state applications. Its existence across multiple crystallographic databases highlights its significance as a well-defined inorganic phase in materials science.
Key Properties
Cross-validated computational properties for K2S8Si2Y2, 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 K2S8Si2Y2, 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 (No. 4) | monoclinic | 2.81 | 0.0000 | -11.240 | 2.72 |
| P21 (No. 4) | — | — | — | — | — |
| — | — | — | — | — | 2.08 |
Applications
Where K2S8Si2Y2 is used.
Frequently Asked Questions
Common questions about K2S8Si2Y2, answered from cross-validated data.
What is K2S8Si2Y2?
K2S8Si2Y2 is a stable, semiconducting quaternary sulfide compound containing potassium, sulfur, silicon, and yttrium.
What is K2S8Si2Y2 used for?
What is the band gap of K2S8Si2Y2?
Is K2S8Si2Y2 a metal, semiconductor, or insulator?
Is K2S8Si2Y2 thermodynamically stable?
What is the crystal structure of K2S8Si2Y2?
What is the density of K2S8Si2Y2?
How many polymorphs of K2S8Si2Y2 are known?
What elements does K2S8Si2Y2 contain?
Where does the data for K2S8Si2Y2 come from?
How It Compares
As a unique quaternary sulfide, K2S8Si2Y2 represents a specialized structural arrangement within the broader field of complex chalcogenides. While many sulfides are studied for their simple binary or ternary configurations, this compound demonstrates the structural diversity achievable when incorporating rare-earth elements like yttrium alongside silicon and alkali metals. It serves as a key example of how multi-element systems can achieve thermodynamic stability while maintaining semiconducting characteristics suitable for advanced material 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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