Ag2S
Acanthite · Argentite
Ag2S is a stable, semiconducting silver sulfide compound widely recognized for its importance in materials science and mineralogy.
About Acanthite
Ag2S is a thermodynamically stable compound that exists as a semiconducting material. Its position on the convex hull highlights its robust nature, making it a significant subject of study with numerous documented structural variations across scientific databases. This material is valued for its unique electronic characteristics, which allow it to function effectively in various technological settings. Its stability and well-characterized structural behavior make it a foundational component for research into silver-based chalcogenides.
Key Properties
Cross-validated computational properties for Acanthite, 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 Ag2S. 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 Ag2S, 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 | 1.61 | 0.0000 | -17.034 | 6.68 |
| — | — | 1.26 | 0.0000 | -0.158 | — |
| Cmcm (No. 63) | orthorhombic | 1.01 | 0.0000 | -0.076 | — |
| P21/m (No. 11) | monoclinic | 1.05 | 0.0000 | -17.034 | 6.70 |
| P21/c (No. 14) | monoclinic | 1.57 | 0.0002 | -17.033 | 6.70 |
| Cmcm (No. 63) | orthorhombic | 1.09 | 0.0014 | -0.074 | — |
| Cmcm (No. 63) | orthorhombic | 1.10 | 0.0015 | -0.074 | — |
| Cmcm (No. 63) | orthorhombic | 1.09 | 0.0016 | -0.074 | — |
| Cmcm (No. 63) | orthorhombic | 1.09 | 0.0016 | -0.074 | — |
| P21/c (No. 14) | monoclinic | 1.11 | 0.0020 | -0.074 | — |
| Cmcm (No. 63) | orthorhombic | 1.07 | 0.0021 | -0.074 | — |
| P21 (No. 4) | monoclinic | 1.36 | 0.0049 | -17.029 | 6.09 |
Applications
Where Acanthite is used.
Frequently Asked Questions
Common questions about Acanthite, answered from cross-validated data.
What is Ag2S?
Ag2S is a stable, semiconducting silver sulfide compound widely recognized for its importance in materials science and mineralogy.
What is Ag2S used for?
What is the band gap of Ag2S?
Is Ag2S a metal, semiconductor, or insulator?
Is Ag2S thermodynamically stable?
What is the crystal structure of Ag2S?
What is the density of Ag2S?
How many polymorphs of Ag2S are known?
What elements does Ag2S contain?
Where does the data for Ag2S come from?
How It Compares
As a primary silver sulfide, Ag2S serves as a benchmark for the class of silver chalcogenides. It represents the most stable stoichiometry within this chemical system, providing a baseline for understanding the electronic and structural evolution of related silver-based semiconductors.
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)
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