AgClO3
Silver chlorate · Silver(I) chlorate
Silver chlorate is a metastable, insulating inorganic salt primarily used as a reactive chemical reagent.
About Silver chlorate
Silver chlorate is a metastable inorganic compound that acts as a wide-band-gap insulator. Its chemical nature is defined by the interaction between the silver cation and the chlorate anion, which results in a structure that is sensitive to environmental conditions and thermal stress.
Because of its inherent reactivity and tendency to decompose, this compound is primarily utilized in specialized chemical synthesis and research settings. Its electronic profile makes it an interesting subject for studies regarding the stability of metal-halate salts in solid-state chemistry.
Key Properties
Cross-validated computational properties for Silver chlorate, 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 AgClO3. 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 AgClO3, 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. |
|---|---|---|---|---|---|
| — | — | 2.66 | 0.0217 | -0.296 | — |
| P213 (No. 198) | cubic | 2.92 | 0.0316 | -4.321 | 4.37 |
| I4/m (No. 87) | tetragonal | 2.40 | 0.0383 | -4.314 | 4.14 |
| — | — | 3.01 | 0.0446 | -0.273 | — |
| P21/c (No. 14) | monoclinic | 3.11 | 0.0486 | -4.304 | 4.11 |
| R3m (No. 160) | trigonal | 2.71 | 0.0928 | -4.260 | 4.13 |
| I4/m (No. 87) | tetragonal | 2.56 | 0.1913 | -0.004 | — |
| P213 (No. 198) | cubic | 2.89 | 0.1931 | -0.003 | — |
| P21/c (No. 14) | monoclinic | 3.16 | 0.2020 | 0.006 | — |
| R3m (No. 160) | trigonal | 2.60 | 0.2345 | 0.039 | — |
| R3m (No. 160) | trigonal | 2.64 | 0.2486 | 0.053 | — |
| I4/mmm (No. 139) | tetragonal | — | — | — | 4.46 |
Applications
Where Silver chlorate is used.
Frequently Asked Questions
Common questions about Silver chlorate, answered from cross-validated data.
What is AgClO3?
Silver chlorate is a metastable, insulating inorganic salt primarily used as a reactive chemical reagent.
What is AgClO3 used for?
What is the band gap of AgClO3?
Is AgClO3 a metal, semiconductor, or insulator?
Is AgClO3 thermodynamically stable?
What is the crystal structure of AgClO3?
What is the density of AgClO3?
How many polymorphs of AgClO3 are known?
What elements does AgClO3 contain?
Where does the data for AgClO3 come from?
How It Compares
As a specialized metal chlorate, this compound functions as a reactive oxidizing agent within the broader family of silver-based inorganic salts. Unlike more inert silver halides, its metastable nature requires careful handling, distinguishing it as a high-energy material in laboratory applications.
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.
- omat24 — Data from Meta Open Materials 2024 (OMat24), Meta FAIR. Cite: Barroso-Luque et al., arXiv:2410.12771 (2024). (CC-BY-4.0)
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