SbBrO
SbBrO is a stable, semiconducting inorganic compound composed of antimony, bromine, and oxygen.
About SbBrO
SbBrO is a thermodynamically stable inorganic compound characterized by its semiconducting electronic nature. As a member of the antimony oxyhalide family, it represents a structurally diverse material with numerous reported configurations across crystallographic databases.
Its stability on the convex hull makes it a significant subject for researchers investigating functional inorganic solids. The material is primarily studied for its potential utility in electronic and optical applications where controlled semiconducting behavior is required.
Key Properties
Cross-validated computational properties for SbBrO, 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 SbBrO. 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 SbBrO, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 1.56 | 0.0000 | -1.139 | — |
| — | — | 2.55 | 0.0060 | -1.288 | — |
| P4/nmm (No. 129) | tetragonal | 1.70 | 0.0130 | -1.126 | — |
| — | — | 1.57 | 0.0374 | -1.257 | — |
| — | — | 2.36 | 0.0480 | -1.246 | — |
| P21/c (No. 14) | monoclinic | 2.54 | 0.1444 | -4.848 | 4.85 |
| P4/nmm (No. 129) | tetragonal | 1.60 | 0.1779 | -4.815 | 5.60 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.5782 | -0.560 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 1.3456 | 0.207 | — |
| P4mm (No. 99) | tetragonal | 0.00 | 2.0190 | 0.880 | — |
| P-1 (No. 2) | triclinic | — | — | — | 5.28 |
| P-1 (No. 2) | triclinic | — | — | — | 5.18 |
Applications
Where SbBrO is used.
Frequently Asked Questions
Common questions about SbBrO, answered from cross-validated data.
What is SbBrO?
SbBrO is a stable, semiconducting inorganic compound composed of antimony, bromine, and oxygen.
What is SbBrO used for?
What is the band gap of SbBrO?
Is SbBrO a metal, semiconductor, or insulator?
Is SbBrO thermodynamically stable?
What is the crystal structure of SbBrO?
What is the density of SbBrO?
How many polymorphs of SbBrO are known?
What elements does SbBrO contain?
Where does the data for SbBrO come from?
How It Compares
As a distinct inorganic oxyhalide, SbBrO occupies a unique position in materials science, serving as a foundational example of how antimony, bromine, and oxygen can combine to form a stable, semiconducting framework.
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)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- 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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