AgBrO4
AgBrO4 is a metastable, semiconducting inorganic compound consisting of silver and bromate ions.
About AgBrO4
AgBrO4 is a complex inorganic compound composed of silver, bromine, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from simple ionic salts, making it a subject of interest for researchers investigating specialized electronic behaviors in metal-bromate systems. The compound is characterized by its metastable nature, which suggests a delicate balance in its atomic arrangement. With a significant number of reported structures across various databases, it remains a focal point for studies concerning polymorphism and structural stability in complex oxyanion frameworks.
Key Properties
Cross-validated computational properties for AgBrO4, aggregated across 3 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 AgBrO4. 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 AgBrO4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.67 | 0.0414 | -4.243 | 4.46 |
| I41/a (No. 88) | tetragonal | 0.89 | 0.0569 | -4.227 | 4.76 |
| Pnma (No. 62) | orthorhombic | 1.08 | 0.0790 | -4.205 | 4.51 |
| I41/a (No. 88) | tetragonal | 0.62 | 0.3851 | 0.256 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 4.58 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.51 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.46 |
| I41/a (No. 88) | tetragonal | — | — | — | 5.08 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.69 |
| I41/a (No. 88) | tetragonal | — | — | — | 4.76 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.77 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.94 |
Applications
Where AgBrO4 is used.
Frequently Asked Questions
Common questions about AgBrO4, answered from cross-validated data.
What is AgBrO4?
AgBrO4 is a metastable, semiconducting inorganic compound consisting of silver and bromate ions.
What is AgBrO4 used for?
What is the band gap of AgBrO4?
Is AgBrO4 a metal, semiconductor, or insulator?
Is AgBrO4 thermodynamically stable?
What is the crystal structure of AgBrO4?
What is the density of AgBrO4?
How many polymorphs of AgBrO4 are known?
What elements does AgBrO4 contain?
Where does the data for AgBrO4 come from?
How It Compares
As a unique inorganic compound, AgBrO4 occupies a specialized niche in material science. Without direct structural siblings in this specific class, it serves as a distinct example of how silver and bromate groups can organize into diverse metastable configurations, providing a reference point for understanding the limits of structural diversity in similar metal-oxyhalide systems.
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)
- 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.
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