AgIO3
Silver iodate · Silver(I) iodate
Silver iodate is a stable, semiconducting inorganic compound characterized by its well-defined structural properties.
About Silver iodate
Silver iodate is a stable inorganic compound that exists as a semiconducting material. Its position on the convex hull confirms its thermodynamic stability, making it a reliable subject for structural investigation and materials research.
With multiple reported structures, this compound serves as a significant example of silver-based halogen chemistry. Its electronic properties and structural diversity provide valuable insights into the behavior of iodate frameworks in solid-state systems.
Key Properties
Cross-validated computational properties for Silver iodate, 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 AgIO3. 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 AgIO3, 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. |
|---|---|---|---|---|---|
| Pca21 (No. 29) | orthorhombic | 2.44 | 0.0000 | -4.555 | 6.00 |
| — | — | 2.33 | 0.0000 | -0.578 | — |
| Pbca (No. 61) | orthorhombic | 2.24 | 0.0000 | -0.367 | — |
| Pbca (No. 61) | orthorhombic | 1.81 | 0.0109 | -4.544 | 6.37 |
| Pnma (No. 62) | orthorhombic | 1.73 | 0.0192 | -0.348 | — |
| Pnma (No. 62) | orthorhombic | 1.98 | 0.0275 | -4.528 | 5.66 |
| — | — | 1.77 | 0.0294 | -0.548 | — |
| — | — | 2.18 | 0.0602 | -0.517 | — |
| — | — | 1.47 | 0.1073 | -0.470 | — |
| — | — | 0.00 | 0.8475 | 0.270 | — |
| Pca21 (No. 29) | orthorhombic | — | — | — | 5.89 |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.79 |
Applications
Where Silver iodate is used.
Frequently Asked Questions
Common questions about Silver iodate, answered from cross-validated data.
What is AgIO3?
Silver iodate is a stable, semiconducting inorganic compound characterized by its well-defined structural properties.
What is AgIO3 used for?
What is the band gap of AgIO3?
Is AgIO3 a metal, semiconductor, or insulator?
Is AgIO3 thermodynamically stable?
What is the crystal structure of AgIO3?
What is the density of AgIO3?
How many polymorphs of AgIO3 are known?
What elements does AgIO3 contain?
Where does the data for AgIO3 come from?
How It Compares
As a distinct inorganic compound, silver iodate represents a foundational example of metal-iodate chemistry. It serves as a primary reference point for understanding the stability and electronic behavior of similar silver-based oxo-halide structures.
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)
- 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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