Cu4K2Se9Y4
Cu4K2Se9Y4 is a stable, semiconducting quaternary selenide compound containing copper, potassium, selenium, and yttrium.
About Cu4K2Se9Y4
Cu4K2Se9Y4 is a complex quaternary selenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within its chemical system. Its unique combination of copper, potassium, selenium, and yttrium elements suggests a specialized role in solid-state chemistry.
This material is characterized by its structural diversity, with multiple reported configurations across various databases. Its stability and semiconducting nature make it an intriguing subject for researchers aiming to understand the interplay between rare-earth elements and transition metals in chalcogenide frameworks.
Key Properties
Cross-validated computational properties for Cu4K2Se9Y4, 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 Cu4K2Se9Y4, 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/m (No. 12) | monoclinic | 0.70 | 0.0000 | -5.508 | 5.02 |
| — | — | — | — | — | 4.38 |
| — | — | — | — | — | 3.89 |
| C2/m (No. 12) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cu4K2Se9Y4, answered from cross-validated data.
What is Cu4K2Se9Y4?
Cu4K2Se9Y4 is a stable, semiconducting quaternary selenide compound containing copper, potassium, selenium, and yttrium.
What is the band gap of Cu4K2Se9Y4?
Is Cu4K2Se9Y4 a metal, semiconductor, or insulator?
Is Cu4K2Se9Y4 thermodynamically stable?
What is the crystal structure of Cu4K2Se9Y4?
What is the density of Cu4K2Se9Y4?
How many polymorphs of Cu4K2Se9Y4 are known?
What elements does Cu4K2Se9Y4 contain?
Where does the data for Cu4K2Se9Y4 come from?
How It Compares
As a distinct quaternary selenide, Cu4K2Se9Y4 serves as a foundational example of complex chalcogenide stability. Without direct structural siblings in this specific chemical class, it stands as a unique reference point for investigating how yttrium and copper interact within a potassium-selenide matrix to maintain thermodynamic equilibrium.
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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