BiSb
Bismuth antimonide · BiSb
Bismuth antimonide is a binary intermetallic compound known for its unique electronic properties. It is primarily studied and utilized in the field of condensed matter physics for its behavior as a topological insulator.
BiSb
Overview
Key Properties
Cross-validated computational properties for Bismuth antimonide, 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.
0.11 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
39
4 databases, 11 space groups
Crystallography
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 | 0.11 | 0.0000 | -42.111 | 8.05 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.91 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.26 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.71 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.97 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 6.67 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.48 |
| — | — | — | — | — | 7.99 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 10.14 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 8.57 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 9.08 |
Uses
Applications
Where Bismuth antimonide is used.
Thermoelectric devicesSpintronics researchTopological insulator studiesInfrared detection
Reference
Frequently Asked Questions
Common questions about Bismuth antimonide, answered from cross-validated data.
What is BiSb?
Bismuth antimonide is a binary intermetallic compound known for its unique electronic properties. It is primarily studied and utilized in the field of condensed matter physics for its behavior as a topological insulator.
More questions
What is BiSb used for?
Bismuth antimonide (BiSb) is used in thermoelectric devices, spintronics research, topological insulator studies, and infrared detection.
What is the band gap of BiSb?
Bismuth antimonide (BiSb) has a DFT-computed band gap of 0.11 eV across 39 reported structures.
Is BiSb a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is BiSb thermodynamically stable?
Yes — Bismuth antimonide (BiSb) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of BiSb?
The lowest-energy reported polymorph of Bismuth antimonide (BiSb) is trigonal symmetry, space group R3m (No. 160).
What is the density of BiSb?
The computed density of the ground-state structure of Bismuth antimonide (BiSb) is 8.05 g/cm³.
How many polymorphs of BiSb are known?
39 structures of BiSb are reported across 4 databases, spanning 11 distinct space groups.
What elements does BiSb contain?
Bismuth antimonide (BiSb) contains Bi and Sb (2 elements).
Where does the data for BiSb come from?
BiSb data is cross-referenced from materials_project, mpaloe, omat24, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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