Cu6K6S16Ta4
Cu6K6S16Ta4 is a stable semiconducting quaternary sulfide composed of copper, potassium, sulfur, and tantalum.
About Cu6K6S16Ta4
Cu6K6S16Ta4 is a complex quaternary sulfide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement of copper, potassium, sulfur, and tantalum atoms.
This material is of interest to researchers investigating the structural diversity of metal-sulfide frameworks. Its stability and electronic properties make it a subject of study for those mapping the chemical space of complex chalcogenides.
Key Properties
Cross-validated computational properties for Cu6K6S16Ta4, 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 Cu6K6S16Ta4, 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 | 2.31 | 0.0000 | -5.756 | 3.77 |
| — | — | — | — | — | 3.60 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Cu6K6S16Ta4 is used.
Frequently Asked Questions
Common questions about Cu6K6S16Ta4, answered from cross-validated data.
What is Cu6K6S16Ta4?
Cu6K6S16Ta4 is a stable semiconducting quaternary sulfide composed of copper, potassium, sulfur, and tantalum.
What is Cu6K6S16Ta4 used for?
What is the band gap of Cu6K6S16Ta4?
Is Cu6K6S16Ta4 a metal, semiconductor, or insulator?
Is Cu6K6S16Ta4 thermodynamically stable?
What is the crystal structure of Cu6K6S16Ta4?
What is the density of Cu6K6S16Ta4?
How many polymorphs of Cu6K6S16Ta4 are known?
What elements does Cu6K6S16Ta4 contain?
Where does the data for Cu6K6S16Ta4 come from?
How It Compares
As a unique quaternary sulfide, this compound serves as an important reference point for understanding the interplay between transition metals and alkali ions in sulfur-based lattices. It occupies a distinct niche in the landscape of complex sulfides, providing a stable structural archetype for future exploration of similar multicomponent chalcogenide systems.
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).
Analyze Cu6K6S16Ta4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →