Ag8K4S6
This is a complex quaternary sulfide compound containing silver, potassium, and sulfur. It is primarily studied in solid-state chemistry research for its structural properties and potential electronic characteristics.
AgKS
Overview
Key Properties
Cross-validated computational properties for Ag8K4S6, 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.
0.13 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ag8K4S6, 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 | 0.13 | 0.0000 | -14.106 | 4.88 |
| C2/m (No. 12) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.84 |
| No. 0 | unknown | — | — | — | 0.84 |
Uses
Applications
Where Ag8K4S6 is used.
Solid-state chemistry researchMaterials science exploration
Reference
Frequently Asked Questions
Common questions about Ag8K4S6, answered from cross-validated data.
What is Ag8K4S6?
This is a complex quaternary sulfide compound containing silver, potassium, and sulfur. It is primarily studied in solid-state chemistry research for its structural properties and potential electronic characteristics.
More questions
What is Ag8K4S6 used for?
Ag8K4S6 is used in solid-state chemistry research and materials science exploration.
What is the band gap of Ag8K4S6?
Ag8K4S6 has a DFT-computed band gap of 0.13 eV across 4 reported structures.
Is Ag8K4S6 a metal, semiconductor, or insulator?
With a band gap up to 0.13 eV it is a semiconductor.
Is Ag8K4S6 thermodynamically stable?
Yes — Ag8K4S6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ag8K4S6?
The lowest-energy reported polymorph of Ag8K4S6 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Ag8K4S6?
The computed density of the ground-state structure of Ag8K4S6 is 4.88 g/cm³.
How many polymorphs of Ag8K4S6 are known?
4 structures of Ag8K4S6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ag8K4S6 contain?
Ag8K4S6 contains Ag, K, and S (3 elements).
Where does the data for Ag8K4S6 come from?
Ag8K4S6 data is cross-referenced from materials_project, aflow, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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