Bi
Bismuth · Bi
Bismuth is a stable, semimetallic element widely recognized for its unique electronic properties and diverse structural configurations.
About Bismuth
Bismuth is a naturally occurring element that exists as a thermodynamically stable solid. Its distinct electronic character, often described as a semimetal or narrow-gap semiconductor, makes it a subject of significant interest for researchers investigating quantum transport and thermoelectric phenomena.
With a vast array of reported structural configurations across multiple databases, this element is one of the most thoroughly characterized materials in its category. Its stability and physical properties allow it to serve as a foundational material for various electronic and metallurgical applications.
Key Properties
Cross-validated computational properties for Bismuth, aggregated across 6 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 Bi. 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 Bi, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | 0.000 | — |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0000 | 0.037 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | 0.037 | — |
| I4/mcm (No. 140) | tetragonal | 0.00 | 0.0000 | 0.243 | — |
| — | — | 0.00 | 0.0000 | 0.000 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.140 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | 0.037 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.140 | — |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0000 | 0.082 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | -58.502 | 9.49 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0000 | 0.037 | — |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0000 | 0.037 | — |
Applications
Where Bismuth is used.
Frequently Asked Questions
Common questions about Bismuth, answered from cross-validated data.
What is Bi?
Bismuth is a stable, semimetallic element widely recognized for its unique electronic properties and diverse structural configurations.
What is Bi used for?
What is the band gap of Bi?
Is Bi a metal, semiconductor, or insulator?
Is Bi thermodynamically stable?
What is the crystal structure of Bi?
How many polymorphs of Bi are known?
What elements does Bi contain?
Where does the data for Bi come from?
How It Compares
As a singular elemental material, Bismuth stands as a primary reference point for semimetallic behavior in solid-state physics, providing a baseline for understanding how structural arrangements influence electronic transport properties in heavy elements.
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)
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