As2Cu8K2S8
As2Cu8K2S8 is a semiconducting quaternary sulfide that is theoretically stable and of interest for solid-state materials research.
About As2Cu8K2S8
As2Cu8K2S8 is a complex quaternary sulfide composed of arsenic, copper, potassium, and sulfur. As a semiconducting material, it represents a specialized inorganic framework that bridges the gap between simple binary chalcogenides and more intricate multinary systems.
This compound is characterized by its position near the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis. Its electronic nature makes it an interesting subject for studies focusing on the behavior of copper-based sulfides in solid-state chemistry.
Key Properties
Cross-validated computational properties for As2Cu8K2S8, 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 As2Cu8K2S8, 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 | 1.29 | 0.0018 | -4.446 | 4.17 |
| P21 (No. 4) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.10 |
Applications
Where As2Cu8K2S8 is used.
Frequently Asked Questions
Common questions about As2Cu8K2S8, answered from cross-validated data.
What is As2Cu8K2S8?
As2Cu8K2S8 is a semiconducting quaternary sulfide that is theoretically stable and of interest for solid-state materials research.
What is As2Cu8K2S8 used for?
What is the band gap of As2Cu8K2S8?
Is As2Cu8K2S8 a metal, semiconductor, or insulator?
Is As2Cu8K2S8 thermodynamically stable?
What is the crystal structure of As2Cu8K2S8?
What is the density of As2Cu8K2S8?
How many polymorphs of As2Cu8K2S8 are known?
What elements does As2Cu8K2S8 contain?
Where does the data for As2Cu8K2S8 come from?
How It Compares
As a unique quaternary sulfide, As2Cu8K2S8 serves as a distinct example of how alkali metals and pnictogens can stabilize complex copper-sulfur networks. Within the broader landscape of copper-based chalcogenides, it highlights the structural diversity achievable through the inclusion of arsenic and potassium.
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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