Au2P2S8
Au2P2S8 is a stable, semiconducting inorganic compound containing gold, phosphorus, and sulfur.
About Au2P2S8
Au2P2S8 is a complex inorganic compound composed of gold, phosphorus, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, offering predictable structural integrity for materials research.
This compound exhibits semiconducting electronic characteristics, making it an intriguing candidate for specialized electronic applications. Its unique composition bridges the properties of precious metal chemistry with chalcogenide-based semiconductor physics, providing a distinct platform for exploring charge transport and optoelectronic behavior.
Key Properties
Cross-validated computational properties for Au2P2S8, 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 Au2P2S8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.32 | 0.0000 | -15.499 | 3.44 |
| — | — | — | — | — | 4.21 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Au2P2S8 is used.
Frequently Asked Questions
Common questions about Au2P2S8, answered from cross-validated data.
What is Au2P2S8?
Au2P2S8 is a stable, semiconducting inorganic compound containing gold, phosphorus, and sulfur.
What is Au2P2S8 used for?
What is the band gap of Au2P2S8?
Is Au2P2S8 a metal, semiconductor, or insulator?
Is Au2P2S8 thermodynamically stable?
What is the crystal structure of Au2P2S8?
What is the density of Au2P2S8?
How many polymorphs of Au2P2S8 are known?
What elements does Au2P2S8 contain?
Where does the data for Au2P2S8 come from?
How It Compares
As a distinct gold-based phosphorus sulfide, Au2P2S8 occupies a specialized niche within inorganic materials. It serves as a primary example of how gold can stabilize complex polyanionic frameworks, setting a benchmark for future exploration of similar ternary gold-phosphorus-sulfur compounds.
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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