In5AgS8
In5AgS8 is a stable, semiconducting ternary sulfide that serves as a key material for research into complex chalcogenide systems.
About In5AgS8
In5AgS8 is a complex ternary sulfide composed of silver, indium, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system, offering a reliable structural foundation for electronic applications.
This material functions as a semiconductor, making it a subject of interest for researchers investigating optoelectronic properties and light-harvesting systems. Its presence across multiple structural databases highlights its significance as a well-characterized compound in the study of complex chalcogenides.
Key Properties
Cross-validated computational properties for In5AgS8, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of In5AgS8. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for In5AgS8, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.44 | 0.0000 | -14.883 | 4.83 |
| F-43m (No. 216) | cubic | 0.00 | 0.0000 | -0.584 | — |
| — | — | 0.81 | 0.0144 | -0.674 | — |
| Fd-3m (No. 227) | cubic | — | — | — | 4.91 |
| F-43m (No. 216) | cubic | — | — | — | 4.83 |
| F-43m (No. 216) | cubic | — | — | — | 4.69 |
| F-43m (No. 216) | cubic | — | — | — | 4.92 |
Applications
Where In5AgS8 is used.
Frequently Asked Questions
Common questions about In5AgS8, answered from cross-validated data.
What is In5AgS8?
In5AgS8 is a stable, semiconducting ternary sulfide that serves as a key material for research into complex chalcogenide systems.
What is In5AgS8 used for?
What is the band gap of In5AgS8?
Is In5AgS8 a metal, semiconductor, or insulator?
Is In5AgS8 thermodynamically stable?
What is the crystal structure of In5AgS8?
What is the density of In5AgS8?
How many polymorphs of In5AgS8 are known?
What elements does In5AgS8 contain?
Where does the data for In5AgS8 come from?
How It Compares
As a distinct ternary sulfide, In5AgS8 occupies a unique position in the landscape of silver-indium-sulfur compounds. It serves as a stable reference point for understanding the phase behavior and electronic potential of multi-component chalcogenides, providing a benchmark for exploring the broader structural diversity found within this material family.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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