AgBrO2
AgBrO2 is a semiconducting silver bromate compound that exists in a metastable state with a wide variety of documented structural arrangements.
About AgBrO2
AgBrO2 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 fundamental materials research.
Despite its status as a thermodynamically metastable phase that sits above the hull, this compound has been documented across multiple structural databases. Its existence in numerous reported configurations highlights the complexity of silver-halogen-oxygen systems and the diverse ways these elements can arrange at the atomic scale.
Key Properties
Cross-validated computational properties for AgBrO2, 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.
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 AgBrO2. 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 AgBrO2, 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/m (No. 11) | monoclinic | 0.00 | 0.0581 | -0.130 | — |
| C2/c (No. 15) | monoclinic | 0.34 | 0.0991 | -0.089 | — |
| P1 (No. 1) | triclinic | 0.36 | 0.1169 | -0.071 | — |
| P1 (No. 1) | triclinic | 0.36 | 0.1170 | -0.071 | — |
| P1 (No. 1) | triclinic | 0.00 | 0.1230 | -3.821 | 3.09 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.1464 | -3.797 | 4.38 |
| C2/c (No. 15) | monoclinic | 0.28 | 0.1510 | -3.793 | 3.74 |
| P1 (No. 1) | triclinic | — | — | — | 3.10 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.55 |
| P1 (No. 1) | triclinic | — | — | — | 3.19 |
| P21/m (No. 11) | monoclinic | — | — | — | 4.41 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.70 |
Frequently Asked Questions
Common questions about AgBrO2, answered from cross-validated data.
What is AgBrO2?
AgBrO2 is a semiconducting silver bromate compound that exists in a metastable state with a wide variety of documented structural arrangements.
What is the band gap of AgBrO2?
Is AgBrO2 a metal, semiconductor, or insulator?
Is AgBrO2 thermodynamically stable?
What is the crystal structure of AgBrO2?
How many polymorphs of AgBrO2 are known?
What elements does AgBrO2 contain?
Where does the data for AgBrO2 come from?
How It Compares
As a unique inorganic phase, AgBrO2 represents a specialized case within silver-based oxyhalide chemistry. While many related silver salts are highly stable, this compound occupies a more precarious thermodynamic position, reflecting the delicate balance of bonding interactions inherent to its specific stoichiometry.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
Analyze AgBrO2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →