Au2K4P2S8
Au2K4P2S8 is a stable, semiconducting quaternary sulfide compound utilized in materials science research.
About Au2K4P2S8
Au2K4P2S8 is a complex quaternary sulfide that maintains a thermodynamically stable state on the convex hull. Its electronic character as a semiconductor makes it an intriguing subject for researchers investigating specialized electronic or optical properties in sulfur-based frameworks. The material is characterized by its structural diversity, with multiple reported configurations across various databases. This structural flexibility suggests a potential for tuning its properties for specific technological requirements in materials science. As a stable compound, it serves as a reliable candidate for further experimental investigation into its fundamental physical behavior.
Key Properties
Cross-validated computational properties for Au2K4P2S8, 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 Au2K4P2S8, 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/m (No. 11) | monoclinic | 1.57 | 0.0000 | -4.448 | 3.25 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
| — | — | — | — | — | 2.98 |
Applications
Where Au2K4P2S8 is used.
Frequently Asked Questions
Common questions about Au2K4P2S8, answered from cross-validated data.
What is Au2K4P2S8?
Au2K4P2S8 is a stable, semiconducting quaternary sulfide compound utilized in materials science research.
What is Au2K4P2S8 used for?
What is the band gap of Au2K4P2S8?
Is Au2K4P2S8 a metal, semiconductor, or insulator?
Is Au2K4P2S8 thermodynamically stable?
What is the crystal structure of Au2K4P2S8?
What is the density of Au2K4P2S8?
How many polymorphs of Au2K4P2S8 are known?
What elements does Au2K4P2S8 contain?
Where does the data for Au2K4P2S8 come from?
How It Compares
As a unique quaternary sulfide, Au2K4P2S8 occupies a distinct position in the landscape of complex chalcogenides. While it lacks direct structural siblings in this specific grouping, its stability and semiconducting nature position it as a significant reference point for exploring the broader class of gold-containing phosphorus sulfides.
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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