AgBi3S5
AgBi3S5 is a stable, semiconducting inorganic compound consisting of silver, bismuth, and sulfur.
About AgBi3S5
AgBi3S5 is a semiconducting compound composed of silver, bismuth, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system, suggesting favorable conditions for synthesis and long-term material integrity.
Its electronic character makes it an interesting candidate for research into functional materials. The compound is well-documented in structural databases, reflecting significant interest in its crystalline architecture and potential for specialized electronic or optoelectronic applications.
Key Properties
Cross-validated computational properties for AgBi3S5, aggregated across 5 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 AgBi3S5. 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 AgBi3S5, 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. |
|---|---|---|---|---|---|
| — | — | 0.65 | 0.0000 | -0.473 | — |
| C2/m (No. 12) | monoclinic | 0.55 | 0.0000 | -0.391 | — |
| C2/m (No. 12) | monoclinic | 0.53 | 0.0000 | -26.709 | 6.62 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.57 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.75 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.67 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.72 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.45 |
Synthesis Routes
Literature-extracted synthesis procedures targeting AgBi3S5.
Applications
Where AgBi3S5 is used.
Frequently Asked Questions
Common questions about AgBi3S5, answered from cross-validated data.
What is AgBi3S5?
AgBi3S5 is a stable, semiconducting inorganic compound consisting of silver, bismuth, and sulfur.
What is AgBi3S5 used for?
What is the band gap of AgBi3S5?
Is AgBi3S5 a metal, semiconductor, or insulator?
Is AgBi3S5 thermodynamically stable?
What is the crystal structure of AgBi3S5?
How many polymorphs of AgBi3S5 are known?
How is AgBi3S5 synthesized?
What elements does AgBi3S5 contain?
Where does the data for AgBi3S5 come from?
How It Compares
As a stable member of the silver-bismuth-sulfur system, this compound serves as a critical reference point for understanding phase stability and structural diversity in complex chalcogenide materials.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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