Ag4As4Pb4S12
Ag4As4Pb4S12 is a stable, semiconducting quaternary sulfide compound composed of silver, arsenic, lead, and sulfur.
About Ag4As4Pb4S12
Ag4As4Pb4S12 is a complex quaternary sulfide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of silver, arsenic, lead, and sulfur atoms.
This material is of significant interest to researchers studying the structural diversity of sulfosalts. Its stability suggests potential for practical applications in fields requiring reliable semiconducting properties within intricate mineral-like architectures.
Key Properties
Cross-validated computational properties for Ag4As4Pb4S12, aggregated across 4 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 Ag4As4Pb4S12, 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/c (No. 14) | monoclinic | 1.39 | 0.0000 | -4.439 | 5.49 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 5.47 |
| No. 0 | unknown | — | — | — | 1.47 |
Applications
Where Ag4As4Pb4S12 is used.
Frequently Asked Questions
Common questions about Ag4As4Pb4S12, answered from cross-validated data.
What is Ag4As4Pb4S12?
Ag4As4Pb4S12 is a stable, semiconducting quaternary sulfide compound composed of silver, arsenic, lead, and sulfur.
What is Ag4As4Pb4S12 used for?
What is the band gap of Ag4As4Pb4S12?
Is Ag4As4Pb4S12 a metal, semiconductor, or insulator?
Is Ag4As4Pb4S12 thermodynamically stable?
What is the crystal structure of Ag4As4Pb4S12?
What is the density of Ag4As4Pb4S12?
How many polymorphs of Ag4As4Pb4S12 are known?
What elements does Ag4As4Pb4S12 contain?
Where does the data for Ag4As4Pb4S12 come from?
How It Compares
As a unique quaternary sulfosalt, this compound serves as a distinct example of how silver, arsenic, and lead can integrate into a stable, semiconducting lattice. It provides a foundational reference point for understanding the complex bonding environments found in similar multi-element chalcogenide systems.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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