Ag2Bi2Cl4S2
Ag2Bi2Cl4S2 is a stable semiconducting quaternary compound composed of silver, bismuth, chlorine, and sulfur.
About Ag2Bi2Cl4S2
Ag2Bi2Cl4S2 is a complex quaternary chalcogenide-halide that exhibits semiconducting electronic behavior. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a robust candidate for experimental investigation and structural analysis.
Because it integrates both sulfur and chlorine anions with silver and bismuth cations, this material offers a unique chemical environment. Researchers study this compound to understand how the interplay between heavy metal cations and mixed-anion coordination influences its electronic and optical characteristics.
Key Properties
Cross-validated computational properties for Ag2Bi2Cl4S2, 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 Ag2Bi2Cl4S2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.08 | 0.0000 | -3.859 | 5.55 |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 5.34 |
| — | — | — | — | — | 4.84 |
| — | — | — | — | — | 3.84 |
Applications
Where Ag2Bi2Cl4S2 is used.
Frequently Asked Questions
Common questions about Ag2Bi2Cl4S2, answered from cross-validated data.
What is Ag2Bi2Cl4S2?
Ag2Bi2Cl4S2 is a stable semiconducting quaternary compound composed of silver, bismuth, chlorine, and sulfur.
What is Ag2Bi2Cl4S2 used for?
What is the band gap of Ag2Bi2Cl4S2?
Is Ag2Bi2Cl4S2 a metal, semiconductor, or insulator?
Is Ag2Bi2Cl4S2 thermodynamically stable?
What is the crystal structure of Ag2Bi2Cl4S2?
What is the density of Ag2Bi2Cl4S2?
How many polymorphs of Ag2Bi2Cl4S2 are known?
What elements does Ag2Bi2Cl4S2 contain?
Where does the data for Ag2Bi2Cl4S2 come from?
How It Compares
As a distinct quaternary compound, Ag2Bi2Cl4S2 serves as a specialized example of mixed-anion chemistry. Within the broader landscape of silver-bismuth-based materials, it represents a stable structural configuration that bridges the gap between simple binary sulfides and more complex halide-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).
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