Br2O3
dibromine trioxide · bromine sesquioxide
Dibromine trioxide is an unstable inorganic compound composed of bromine and oxygen. It is primarily studied in the context of atmospheric chemistry and laboratory research regarding halogen oxides.
BrO
Overview
Key Properties
Cross-validated computational properties for dibromine trioxide, aggregated across 2 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.
1.76 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
22
2 databases, 11 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Br2O3, 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 | 1.76 | 0.0000 | -3.822 | 3.61 |
| I4mm (No. 107) | Tetragonal | — | — | — | 4.71 |
| Pm (No. 6) | Monoclinic | — | — | — | 5.28 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.52 |
| P1 (No. 1) | Triclinic | — | — | — | 6.69 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 4.10 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 4.84 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 6.47 |
| P1 (No. 1) | Triclinic | — | — | — | 4.30 |
| P1 (No. 1) | Triclinic | — | — | — | 3.19 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.76 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.78 |
Uses
Applications
Where dibromine trioxide is used.
atmospheric chemistry researchchemical synthesis studies
Reference
Frequently Asked Questions
Common questions about dibromine trioxide, answered from cross-validated data.
What is Br2O3?
Dibromine trioxide is an unstable inorganic compound composed of bromine and oxygen. It is primarily studied in the context of atmospheric chemistry and laboratory research regarding halogen oxides.
More questions
What is Br2O3 used for?
dibromine trioxide (Br2O3) is used in atmospheric chemistry research and chemical synthesis studies.
What is the band gap of Br2O3?
dibromine trioxide (Br2O3) has a DFT-computed band gap of 1.76 eV across 22 reported structures.
Is Br2O3 a metal, semiconductor, or insulator?
With a band gap up to 1.76 eV it is a semiconductor.
Is Br2O3 thermodynamically stable?
Yes — dibromine trioxide (Br2O3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Br2O3?
The lowest-energy reported polymorph of dibromine trioxide (Br2O3) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Br2O3?
The computed density of the ground-state structure of dibromine trioxide (Br2O3) is 3.61 g/cm³.
How many polymorphs of Br2O3 are known?
22 structures of Br2O3 are reported across 2 databases, spanning 11 distinct space groups.
What elements does Br2O3 contain?
dibromine trioxide (Br2O3) contains Br and O (2 elements).
Where does the data for Br2O3 come from?
Br2O3 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze Br2O3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →