AgBrO3
Silver bromate · Silver(I) bromate
Silver bromate is a semiconducting inorganic salt that maintains high thermodynamic stability and structural interest for materials science applications.
About Silver bromate
Silver bromate is a semiconducting inorganic compound composed of silver, bromine, and oxygen. As a near-hull material, it is considered thermodynamically stable and is recognized as a viable candidate for experimental synthesis and characterization within materials research.
Its structural diversity is evidenced by multiple reported configurations across various crystallographic databases. This compound serves as an important subject for investigating the behavior of silver-based oxo-anion salts and their potential utility in specialized chemical processes.
Key Properties
Cross-validated computational properties for Silver bromate, 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 AgBrO3. 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 AgBrO3, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 2.38 | 0.0017 | -4.150 | 5.07 |
| — | — | 2.33 | 0.0266 | -0.212 | — |
| — | — | 0.00 | 0.2150 | -0.024 | — |
| — | — | 0.00 | 0.2548 | 0.016 | — |
| R3m (No. 160) | trigonal | 2.22 | 0.2622 | 0.109 | — |
| — | — | 0.00 | 0.4383 | 0.199 | — |
| — | — | 0.00 | 0.4993 | 0.260 | — |
| P21/m (No. 11) | monoclinic | — | — | — | 4.44 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.25 |
| R3m (No. 160) | trigonal | — | — | — | 4.67 |
| R3m (No. 160) | trigonal | — | — | — | 4.86 |
| R3m (No. 160) | trigonal | — | — | — | 4.57 |
Applications
Where Silver bromate is used.
Frequently Asked Questions
Common questions about Silver bromate, answered from cross-validated data.
What is AgBrO3?
Silver bromate is a semiconducting inorganic salt that maintains high thermodynamic stability and structural interest for materials science applications.
What is AgBrO3 used for?
What is the band gap of AgBrO3?
Is AgBrO3 a metal, semiconductor, or insulator?
Is AgBrO3 thermodynamically stable?
What is the crystal structure of AgBrO3?
What is the density of AgBrO3?
How many polymorphs of AgBrO3 are known?
What elements does AgBrO3 contain?
Where does the data for AgBrO3 come from?
How It Compares
As a distinct silver-based bromate, this compound serves as a critical reference point for understanding the stability and electronic behavior of heavy-metal halogen-oxygen frameworks in the absence of more common structural analogs.
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)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
- 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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