AgI
Silver iodide · Iodargyrite
Silver iodide is a stable semiconducting material known for its extensive structural variety and its practical utility in atmospheric cloud seeding.
About Silver iodide
Silver iodide is a semiconducting inorganic compound that exists in a thermodynamically stable state on the convex hull. Its structural complexity is highlighted by a vast array of reported configurations across multiple databases, reflecting its dynamic behavior under varying conditions. This compound is primarily valued for its distinct physical properties, which allow it to act as an effective nucleating agent. Its ability to influence phase transitions in atmospheric water makes it a critical material in specialized environmental and industrial applications.
Key Properties
Cross-validated computational properties for Silver iodide, 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 AgI. 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 AgI, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.41 | 0.0000 | -0.207 | — |
| P63mc (No. 186) | hexagonal | 1.38 | 0.0000 | -2.651 | 5.81 |
| — | — | 1.48 | 0.0002 | -0.368 | — |
| — | — | 1.55 | 0.0010 | -0.367 | — |
| P4/nmm (No. 129) | tetragonal | 1.26 | 0.0024 | -0.204 | — |
| Fm-3m (No. 225) | cubic | 0.66 | 0.0024 | -0.204 | — |
| F-43m (No. 216) | cubic | 1.37 | 0.0024 | -2.649 | 5.51 |
| P63mc (No. 186) | hexagonal | 1.40 | 0.0026 | -2.649 | 5.49 |
| F-43m (No. 216) | cubic | 1.26 | 0.0035 | -0.203 | — |
| F-43m (No. 216) | cubic | 1.26 | 0.0035 | -0.203 | — |
| I-4m2 (No. 119) | tetragonal | 1.31 | 0.0039 | -2.647 | 5.32 |
| P63mc (No. 186) | hexagonal | 1.28 | 0.0048 | -0.202 | — |
Applications
Where Silver iodide is used.
Frequently Asked Questions
Common questions about Silver iodide, answered from cross-validated data.
What is AgI?
Silver iodide is a stable semiconducting material known for its extensive structural variety and its practical utility in atmospheric cloud seeding.
What is AgI used for?
What is the band gap of AgI?
Is AgI a metal, semiconductor, or insulator?
Is AgI thermodynamically stable?
What is the crystal structure of AgI?
How many polymorphs of AgI are known?
What elements does AgI contain?
Where does the data for AgI come from?
How It Compares
As a highly studied and structurally diverse material, silver iodide stands out for its unique role in solid-state chemistry and atmospheric science. Unlike many simpler binary compounds, its extensive structural library allows it to serve as a benchmark for understanding phase stability and ionic transport in semiconducting systems.
Data sources & attribution
- 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)
- 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)
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