AgBrO3
Silver bromate · Silver(I) bromate
Silver bromate is an inorganic salt composed of silver and bromate ions. It is primarily utilized in laboratory settings as a specialized reagent for various chemical synthesis and analytical procedures.
AgBrO
Overview
Key Properties
Cross-validated computational properties for Silver bromate, aggregated across 4 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.
2.38 eV
Range across DFT structures
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.
0.002 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
4 databases, 1 space group
Crystallography
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 |
| R3m (No. 160) | — | — | — | — | — |
| R3m (No. 160) | Trigonal | — | — | — | 4.57 |
| — | — | — | — | — | — |
| R3m (No. 160) | Trigonal | — | — | — | 4.86 |
| R3m (No. 160) | Trigonal | — | — | — | 4.67 |
Uses
Applications
Where Silver bromate is used.
Chemical synthesisAnalytical chemistry reagentOxidizing agent
Reference
Frequently Asked Questions
Common questions about Silver bromate, answered from cross-validated data.
What is AgBrO3?
Silver bromate is an inorganic salt composed of silver and bromate ions. It is primarily utilized in laboratory settings as a specialized reagent for various chemical synthesis and analytical procedures.
More questions
What is AgBrO3 used for?
Silver bromate (AgBrO3) is used in chemical synthesis, analytical chemistry reagent, and oxidizing agent.
What is the band gap of AgBrO3?
Silver bromate (AgBrO3) has a DFT-computed band gap of 2.38 eV across 6 reported structures.
Is AgBrO3 a metal, semiconductor, or insulator?
With a band gap up to 2.38 eV it is a semiconductor.
Is AgBrO3 thermodynamically stable?
Silver bromate (AgBrO3) has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of AgBrO3?
The lowest-energy reported polymorph of Silver bromate (AgBrO3) is trigonal symmetry, space group R3m (No. 160).
What is the density of AgBrO3?
The computed density of the ground-state structure of Silver bromate (AgBrO3) is 5.07 g/cm³.
How many polymorphs of AgBrO3 are known?
6 structures of AgBrO3 are reported across 4 databases, spanning 1 distinct space group.
What elements does AgBrO3 contain?
Silver bromate (AgBrO3) contains Ag, Br, and O (3 elements).
Where does the data for AgBrO3 come from?
AgBrO3 data is cross-referenced from materials_project, jarvis, mpaloe, alexandria.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- alexandria — Data from alexandria.
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