AgIO4
AgIO4 is a metastable, semiconducting silver periodate compound used primarily in advanced materials research.
About AgIO4
AgIO4 is a semiconducting periodate compound that exists in a metastable state. Its complex structural chemistry is highlighted by the multiple ways its atoms can arrange, as evidenced by the diverse configurations documented across various materials databases.
This compound serves as an intriguing subject for solid-state chemistry research, particularly for those studying the behavior of silver-based oxoanions. Its electronic properties and inherent metastability make it a unique candidate for exploring phase transitions and reactive pathways in inorganic synthesis.
Key Properties
Cross-validated computational properties for AgIO4, 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 AgIO4. 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 AgIO4, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 0.11 | 0.0614 | -4.571 | 5.51 |
| — | — | 0.00 | 0.0974 | -0.385 | — |
| I41/a (No. 88) | tetragonal | 0.00 | 0.1490 | -0.158 | — |
| I41/a (No. 88) | tetragonal | — | — | — | 5.51 |
| I41/a (No. 88) | tetragonal | — | — | — | — |
| I41/a (No. 88) | tetragonal | — | — | — | 5.68 |
| I41/a (No. 88) | tetragonal | — | — | — | 5.97 |
| I41/a (No. 88) | tetragonal | — | — | — | — |
| I41/a (No. 88) | tetragonal | — | — | — | 5.70 |
Applications
Where AgIO4 is used.
Frequently Asked Questions
Common questions about AgIO4, answered from cross-validated data.
What is AgIO4?
AgIO4 is a metastable, semiconducting silver periodate compound used primarily in advanced materials research.
What is AgIO4 used for?
What is the band gap of AgIO4?
Is AgIO4 a metal, semiconductor, or insulator?
Is AgIO4 thermodynamically stable?
What is the crystal structure of AgIO4?
What is the density of AgIO4?
How many polymorphs of AgIO4 are known?
What elements does AgIO4 contain?
Where does the data for AgIO4 come from?
How It Compares
As a distinct member of the periodate family, AgIO4 represents a specialized inorganic structure that lacks direct structural analogs in this immediate context. Its behavior is defined by the interplay between the heavy silver cation and the periodate framework, setting it apart from more common alkali metal periodates.
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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