Cu4Ho4K2S9
Cu4Ho4K2S9 is a stable, semiconducting quaternary sulfide compound composed of copper, holmium, potassium, and sulfur.
About Cu4Ho4K2S9
Cu4Ho4K2S9 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 structural arrangement of copper, holmium, potassium, and sulfur atoms. Its stability suggests potential for reliable performance in specialized solid-state applications where consistent material properties are required.
The compound is notable for its structural diversity, supported by multiple reported entries across major materials databases. This data richness highlights its significance in the study of rare-earth copper sulfides, providing a stable platform for researchers investigating the interplay between heavy lanthanide elements and transition metal chalcogenide frameworks.
Key Properties
Cross-validated computational properties for Cu4Ho4K2S9, 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 Cu4Ho4K2S9, 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 | 0.87 | 0.0000 | -5.564 | 5.27 |
| Cm (No. 8) | monoclinic | 1.18 | 0.0019 | -5.562 | 5.32 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 4.31 |
| — | — | — | — | — | 4.00 |
Applications
Where Cu4Ho4K2S9 is used.
Frequently Asked Questions
Common questions about Cu4Ho4K2S9, answered from cross-validated data.
What is Cu4Ho4K2S9?
Cu4Ho4K2S9 is a stable, semiconducting quaternary sulfide compound composed of copper, holmium, potassium, and sulfur.
What is Cu4Ho4K2S9 used for?
What is the band gap of Cu4Ho4K2S9?
Is Cu4Ho4K2S9 a metal, semiconductor, or insulator?
Is Cu4Ho4K2S9 thermodynamically stable?
What is the crystal structure of Cu4Ho4K2S9?
What is the density of Cu4Ho4K2S9?
How many polymorphs of Cu4Ho4K2S9 are known?
What elements does Cu4Ho4K2S9 contain?
Where does the data for Cu4Ho4K2S9 come from?
How It Compares
As a unique quaternary sulfide, Cu4Ho4K2S9 serves as a representative example of how lanthanide elements can be integrated into complex sulfur-based lattices to achieve thermodynamic stability. While it currently stands as a distinct entry in the database, it contributes to the broader understanding of how potassium and copper stoichiometry influences the electronic behavior of rare-earth chalcogenide systems.
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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