BrO4
BrO4 is an unstable, semiconducting binary oxide of bromine and oxygen that is primarily studied for its diverse structural configurations.
About BrO4
BrO4 is a binary oxide composed of bromine and oxygen. It exhibits semiconducting electronic properties, placing it in a unique category of materials that bridge the gap between conductive and insulating behaviors.
Due to its position above the thermodynamic hull, this compound is considered inherently unstable under standard conditions. Despite this, it remains a subject of interest in structural chemistry, with numerous reported configurations across various databases.
Key Properties
Cross-validated computational properties for BrO4, 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.
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 BrO4. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for BrO4, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for BrO4, 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 (No. 4) | monoclinic | 0.78 | 0.1976 | -4.188 | 2.73 |
| P21 (No. 4) | monoclinic | 0.45 | 0.3675 | -4.018 | 1.91 |
| P1 (No. 1) | triclinic | — | — | — | 2.97 |
| P1 (No. 1) | triclinic | — | — | — | 3.94 |
| P1 (No. 1) | triclinic | — | — | — | 3.84 |
| P21 (No. 4) | monoclinic | — | — | — | 2.74 |
| Pm (No. 6) | monoclinic | — | — | — | 3.46 |
| P21 (No. 4) | monoclinic | — | — | — | 2.73 |
| Cm (No. 8) | monoclinic | — | — | — | 3.82 |
| Pm (No. 6) | monoclinic | — | — | — | 3.45 |
| Pm (No. 6) | monoclinic | — | — | — | 5.16 |
| Pm (No. 6) | monoclinic | — | — | — | 5.90 |
Frequently Asked Questions
Common questions about BrO4, answered from cross-validated data.
What is BrO4?
BrO4 is an unstable, semiconducting binary oxide of bromine and oxygen that is primarily studied for its diverse structural configurations.
What is the band gap of BrO4?
Is BrO4 a metal, semiconductor, or insulator?
Is BrO4 thermodynamically stable?
What is the crystal structure of BrO4?
What is the density of BrO4?
How many polymorphs of BrO4 are known?
What elements does BrO4 contain?
Where does the data for BrO4 come from?
How It Compares
As a binary oxide with limited stability, BrO4 represents a challenging subject in materials science. It serves as a distinct example of the complex bonding interactions possible between halogens and oxygen, highlighting the difficulty of synthesizing stable phases in this chemical space.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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