BSb
BSb is a semiconducting binary compound of boron and antimony that is frequently studied for its complex structural variety.
About BSb
BSb is a binary compound composed of boron and antimony. As a semiconducting material, it represents an interesting intersection of light and heavy elements, drawing significant attention from researchers studying diverse structural configurations.
Despite its status as a thermodynamically unstable phase that sits above the hull, this compound remains a subject of intense investigation. Its data-rich profile, supported by numerous reported structures across multiple databases, underscores its importance in fundamental materials research.
Key Properties
Cross-validated computational properties for BSb, aggregated across 5 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 BSb. 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 BSb, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.75 | 0.2740 | -16.252 | 5.97 |
| — | — | 0.81 | 0.3641 | 0.364 | — |
| F-43m (No. 216) | cubic | 0.83 | 0.3684 | 0.368 | — |
| — | — | 0.98 | 0.3684 | 0.368 | — |
| F-43m (No. 216) | cubic | 0.94 | 0.3742 | 0.374 | — |
| — | — | 0.00 | 0.3900 | 0.390 | — |
| — | — | 0.00 | 0.9542 | 0.954 | — |
| — | — | 0.00 | 0.9544 | 0.954 | — |
| — | — | 0.00 | 1.1697 | 1.170 | — |
| — | — | 0.00 | 1.5132 | 1.513 | — |
| — | — | 0.00 | 1.5134 | 1.513 | — |
| P1 (No. 1) | triclinic | — | — | — | 6.09 |
Applications
Where BSb is used.
Frequently Asked Questions
Common questions about BSb, answered from cross-validated data.
What is BSb?
BSb is a semiconducting binary compound of boron and antimony that is frequently studied for its complex structural variety.
What is BSb used for?
What is the band gap of BSb?
Is BSb a metal, semiconductor, or insulator?
Is BSb thermodynamically stable?
What is the crystal structure of BSb?
What is the density of BSb?
How many polymorphs of BSb are known?
What elements does BSb contain?
Where does the data for BSb come from?
How It Compares
As a unique binary system, BSb serves as a distinct case study for understanding the structural diversity of boron-antimony combinations. It occupies a specialized niche in materials science where the interplay between its constituent elements challenges standard stability predictions.
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)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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