Ag2K4S8Ta2
Ag2K4S8Ta2 is a stable semiconducting quaternary sulfide composed of silver, potassium, tantalum, and sulfur.
About Ag2K4S8Ta2
Ag2K4S8Ta2 is a quaternary sulfide compound featuring silver, potassium, tantalum, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement within its chemical system. Its electronic character is defined as semiconducting, making it a subject of interest for fundamental studies in solid-state chemistry and materials design. The compound is supported by multiple reported structural entries across major databases, highlighting its significance in the exploration of complex chalcogenide frameworks. Its unique stoichiometry allows for diverse bonding environments that influence its physical properties, positioning it as a notable candidate for further experimental investigation in electronic and optoelectronic applications.
Key Properties
Cross-validated computational properties for Ag2K4S8Ta2, 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 Ag2K4S8Ta2, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 2.49 | 0.0000 | -5.467 | 3.51 |
| P1 (No. 1) | triclinic | 2.43 | 0.0119 | -5.455 | 3.51 |
| — | — | — | — | — | 3.54 |
| Fddd (No. 70) | — | — | — | — | — |
| — | — | — | — | — | 3.54 |
Applications
Where Ag2K4S8Ta2 is used.
Frequently Asked Questions
Common questions about Ag2K4S8Ta2, answered from cross-validated data.
What is Ag2K4S8Ta2?
Ag2K4S8Ta2 is a stable semiconducting quaternary sulfide composed of silver, potassium, tantalum, and sulfur.
What is Ag2K4S8Ta2 used for?
What is the band gap of Ag2K4S8Ta2?
Is Ag2K4S8Ta2 a metal, semiconductor, or insulator?
Is Ag2K4S8Ta2 thermodynamically stable?
What is the crystal structure of Ag2K4S8Ta2?
What is the density of Ag2K4S8Ta2?
How many polymorphs of Ag2K4S8Ta2 are known?
What elements does Ag2K4S8Ta2 contain?
Where does the data for Ag2K4S8Ta2 come from?
How It Compares
As a member of the quaternary sulfide family, Ag2K4S8Ta2 occupies a distinct position due to its stability and specific electronic profile. While many complex sulfides in this class are explored for their tunable properties, this compound stands out as a stable, well-characterized phase that provides a reliable baseline for understanding how the integration of silver and tantalum within a potassium-sulfur lattice dictates semiconducting behavior.
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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