BiSb
BiSb is a stable semiconducting intermetallic compound formed from bismuth and antimony.
About BiSb
BiSb is a binary intermetallic compound composed of bismuth and antimony. It exists as a thermodynamically stable phase, occupying a position on the convex hull that signifies its robustness in solid-state form.
As a semiconducting material, it is frequently investigated for its unique electronic properties. With a significant number of reported structures across various databases, it remains a subject of interest for researchers studying the behavior of heavy pnictogen alloys.
Key Properties
Cross-validated computational properties for BiSb, aggregated across 4 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 BiSb. 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 BiSb, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 0.05 | 0.0000 | -42.111 | 8.05 |
| R3m (No. 160) | trigonal | 0.03 | 0.0000 | -0.009 | — |
| — | — | 0.00 | 0.0000 | -0.009 | — |
| — | — | 0.00 | 0.0166 | 0.008 | — |
| — | — | 0.00 | 0.0437 | 0.035 | — |
| — | — | 0.00 | 0.0757 | 0.067 | — |
| — | — | 0.00 | 0.0837 | 0.075 | — |
| — | — | 0.00 | 0.1198 | 0.111 | — |
| — | — | 0.00 | 0.1400 | 0.131 | — |
| — | — | 0.00 | 0.1669 | 0.158 | — |
| — | — | 0.00 | 0.1852 | 0.177 | — |
| — | — | 0.00 | 0.2259 | 0.217 | — |
Applications
Where BiSb is used.
Patent Landscape
1 patent reference BiSb or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 12176132 | Highly textured 001 BiSb and materials for making same | — | — |
Frequently Asked Questions
Common questions about BiSb, answered from cross-validated data.
What is BiSb?
BiSb is a stable semiconducting intermetallic compound formed from bismuth and antimony.
What is BiSb used for?
What is the band gap of BiSb?
Is BiSb a metal, semiconductor, or insulator?
Is BiSb thermodynamically stable?
What is the crystal structure of BiSb?
What is the density of BiSb?
How many polymorphs of BiSb are known?
What elements does BiSb contain?
Where does the data for BiSb come from?
How It Compares
As a binary pnictide, BiSb serves as a foundational example of how combining heavy group 15 elements can yield stable semiconducting phases. It represents a critical baseline for understanding the structural and electronic evolution of bismuth-antimony systems in materials science.
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.
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