Ag3Sb
dyscrasite · antimonial silver
Ag3Sb is a metallic intermetallic compound of silver and antimony that exists as a metastable phase.
About dyscrasite
Ag3Sb is a metallic intermetallic compound that crystallizes in a complex structural arrangement. As a metastable phase, it represents a fascinating subject for researchers investigating phase stability and the formation of silver-antimony alloys. Its metallic electronic character is consistent with its behavior as a conductive intermetallic phase.
This compound is primarily recognized for its occurrence in geological contexts where silver and antimony interact under specific conditions. Its structural complexity is highlighted by the significant number of reported configurations across various databases, reflecting its intricate role in binary alloy systems.
Key Properties
Cross-validated computational properties for dyscrasite, aggregated across 6 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 Ag3Sb. 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 Ag3Sb, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0179 | 0.018 | — |
| — | — | 0.00 | 0.0403 | 0.040 | — |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0410 | -22.402 | 9.49 |
| — | — | 0.00 | 0.0433 | 0.043 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0485 | 0.049 | — |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.0509 | -22.393 | 9.12 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0512 | 0.051 | — |
| — | — | 0.00 | 0.0610 | 0.061 | — |
| — | — | 0.00 | 0.0751 | 0.075 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0874 | -22.356 | 8.99 |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.1005 | 0.101 | — |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.1005 | 0.101 | — |
Applications
Where dyscrasite is used.
Frequently Asked Questions
Common questions about dyscrasite, answered from cross-validated data.
What is Ag3Sb?
Ag3Sb is a metallic intermetallic compound of silver and antimony that exists as a metastable phase.
What is Ag3Sb used for?
What is the band gap of Ag3Sb?
Is Ag3Sb a metal, semiconductor, or insulator?
Is Ag3Sb thermodynamically stable?
What is the crystal structure of Ag3Sb?
What is the density of Ag3Sb?
How many polymorphs of Ag3Sb are known?
What elements does Ag3Sb contain?
Where does the data for Ag3Sb come from?
How It Compares
As a standalone entry in this context, Ag3Sb serves as a primary example of metastable intermetallic phases within the silver-antimony binary system. It illustrates the delicate balance required to maintain specific stoichiometric ratios in metallic alloys, distinguishing itself through its unique structural diversity compared to simpler binary phases.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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