SbBr3
Antimony tribromide · Antimony(III) bromide
Antimony tribromide is a stable, insulating inorganic halide commonly utilized as a chemical reagent and precursor in material synthesis.
About Antimony tribromide
Antimony tribromide is a stable, wide-gap insulating halide compound. Its structural versatility is evidenced by the numerous crystalline forms documented in research databases, highlighting its significance in solid-state chemistry. The compound serves as a critical reagent in various chemical processes, particularly in the synthesis of specialized inorganic materials. Its insulating nature and stability make it a subject of interest for fundamental studies in halide chemistry.
Key Properties
Cross-validated computational properties for Antimony tribromide, 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 SbBr3. 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 SbBr3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.12 | 0.0000 | -3.269 | 4.14 |
| Pnma (No. 62) | orthorhombic | 2.73 | 0.0000 | -0.620 | — |
| — | — | 2.53 | 0.0000 | -0.865 | — |
| — | — | 2.37 | 0.0024 | -0.863 | — |
| — | — | 2.34 | 0.0024 | -0.863 | — |
| P212121 (No. 19) | orthorhombic | 3.37 | 0.0059 | -3.263 | 4.08 |
| Pnma (No. 62) | orthorhombic | 3.45 | 0.0062 | -3.262 | 4.08 |
| Pnma (No. 62) | orthorhombic | 2.83 | 0.0181 | -0.602 | — |
| Pnma (No. 62) | orthorhombic | 2.85 | 0.0224 | -0.597 | — |
| — | — | 3.00 | 0.0324 | -0.833 | — |
| — | — | 2.91 | 0.0344 | -0.831 | — |
| — | — | 3.05 | 0.0363 | -0.829 | — |
Applications
Where Antimony tribromide is used.
Frequently Asked Questions
Common questions about Antimony tribromide, answered from cross-validated data.
What is SbBr3?
Antimony tribromide is a stable, insulating inorganic halide commonly utilized as a chemical reagent and precursor in material synthesis.
What is SbBr3 used for?
What is the band gap of SbBr3?
Is SbBr3 a metal, semiconductor, or insulator?
Is SbBr3 thermodynamically stable?
What is the crystal structure of SbBr3?
What is the density of SbBr3?
How many polymorphs of SbBr3 are known?
What elements does SbBr3 contain?
Where does the data for SbBr3 come from?
How It Compares
As a distinct halide compound, Antimony tribromide occupies a unique position in inorganic chemistry, serving as a foundational material for studying antimony-based bonding environments and structural phase transitions.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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