Cu2Ho4K2S8
Cu2Ho4K2S8 is a stable, semiconducting quaternary sulfide composed of copper, holmium, potassium, and sulfur.
About Cu2Ho4K2S8
Cu2Ho4K2S8 is a complex quaternary sulfide featuring copper, holmium, potassium, and sulfur. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system. Its electronic character as a semiconductor makes it an intriguing candidate for specialized electronic and optoelectronic investigations.
The material is characterized by its structural diversity, with multiple reported configurations across various databases. This structural richness highlights its potential for nuanced physical behavior, positioning it as a subject of interest for researchers focused on the synthesis and characterization of complex chalcogenide frameworks.
Key Properties
Cross-validated computational properties for Cu2Ho4K2S8, 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 Cu2Ho4K2S8, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.04 | 0.0000 | -5.774 | 5.20 |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 4.09 |
Applications
Where Cu2Ho4K2S8 is used.
Frequently Asked Questions
Common questions about Cu2Ho4K2S8, answered from cross-validated data.
What is Cu2Ho4K2S8?
Cu2Ho4K2S8 is a stable, semiconducting quaternary sulfide composed of copper, holmium, potassium, and sulfur.
What is Cu2Ho4K2S8 used for?
What is the band gap of Cu2Ho4K2S8?
Is Cu2Ho4K2S8 a metal, semiconductor, or insulator?
Is Cu2Ho4K2S8 thermodynamically stable?
What is the crystal structure of Cu2Ho4K2S8?
What is the density of Cu2Ho4K2S8?
How many polymorphs of Cu2Ho4K2S8 are known?
What elements does Cu2Ho4K2S8 contain?
Where does the data for Cu2Ho4K2S8 come from?
How It Compares
As a unique quaternary sulfide, Cu2Ho4K2S8 serves as a foundational example of how rare-earth and transition metal combinations can achieve thermodynamic stability. It occupies a distinct niche in the landscape of complex sulfides, providing a baseline for understanding how the integration of potassium and holmium influences the electronic properties of copper-based sulfur frameworks.
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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