AgSbS2
miargyrite · silver antimony sulfide
AgSbS2 is a stable semiconducting silver antimony sulfide used in the study of optoelectronic materials.
About miargyrite
AgSbS2 is a thermodynamically stable ternary sulfide that occupies a significant position on the convex hull of its constituent elements. As a semiconducting material, it exhibits electronic properties suitable for specialized optoelectronic and photovoltaic research, drawing interest from the materials science community for its structural versatility.
With numerous reported structures across major databases, this compound is a well-characterized member of the silver-antimony-sulfur system. Its stability and predictable electronic behavior make it a compelling subject for studies focused on developing sustainable and efficient thin-film semiconductors.
Key Properties
Cross-validated computational properties for miargyrite, 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 AgSbS2. 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 AgSbS2, 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/c (No. 15) | monoclinic | 1.35 | 0.0000 | -16.033 | 5.04 |
| — | — | 1.35 | 0.0000 | -0.342 | — |
| C2/c (No. 15) | monoclinic | 1.25 | 0.0000 | -0.256 | — |
| — | — | 1.39 | 0.0006 | -0.342 | — |
| C2/c (No. 15) | monoclinic | 1.18 | 0.0010 | -0.255 | — |
| Cc (No. 9) | monoclinic | 1.30 | 0.0011 | -16.032 | 4.98 |
| C2/c (No. 15) | monoclinic | 1.28 | 0.0043 | -0.252 | — |
| R-3m (No. 166) | trigonal | 0.33 | 0.0301 | -0.226 | — |
| — | — | 0.16 | 0.0508 | -0.291 | — |
| R-3m (No. 166) | trigonal | 0.08 | 0.0573 | -15.975 | 5.64 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0607 | -15.972 | 5.66 |
| C2/m (No. 12) | monoclinic | 0.53 | 0.0641 | -0.192 | — |
Applications
Where miargyrite is used.
Frequently Asked Questions
Common questions about miargyrite, answered from cross-validated data.
What is AgSbS2?
AgSbS2 is a stable semiconducting silver antimony sulfide used in the study of optoelectronic materials.
What is AgSbS2 used for?
What is the band gap of AgSbS2?
Is AgSbS2 a metal, semiconductor, or insulator?
Is AgSbS2 thermodynamically stable?
What is the crystal structure of AgSbS2?
What is the density of AgSbS2?
How many polymorphs of AgSbS2 are known?
What elements does AgSbS2 contain?
Where does the data for AgSbS2 come from?
How It Compares
As a stable ternary sulfide, AgSbS2 serves as a foundational reference point for exploring the broader landscape of silver-based chalcogenides. It represents an important benchmark for understanding how the integration of silver, antimony, and sulfur influences the semiconducting nature of complex inorganic compounds.
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)
- 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)
- 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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