B
Boron · elemental boron
Boron is a versatile, thermodynamically stable semiconducting element characterized by an exceptional variety of structural arrangements.
About Boron
Boron is a distinct semiconducting element known for its remarkable structural complexity and stability. It exists in numerous allotropic forms, reflecting its unique ability to form complex clusters and networks that define its physical properties.
Because of its inherent stability and electronic nature, boron serves as a foundational material in high-performance applications. It is widely utilized in the synthesis of hard materials and as a vital dopant in the semiconductor industry to modulate electrical conductivity.
Key Properties
Cross-validated computational properties for Boron, 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 B. 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 B, 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 | 1.69 | 0.0000 | 0.000 | — |
| Pnnm (No. 58) | orthorhombic | 1.64 | 0.0000 | 0.023 | — |
| Pnnm (No. 58) | orthorhombic | 1.64 | 0.0000 | 0.023 | — |
| — | — | 1.53 | 0.0000 | 0.000 | — |
| R-3m (No. 166) | trigonal | 1.43 | 0.0000 | -7.346 | 2.48 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.753 | — |
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0000 | 0.702 | — |
| P6/mmm (No. 191) | hexagonal | 0.00 | 0.0000 | 0.756 | — |
| Cm (No. 8) | monoclinic | 0.00 | 0.0000 | 0.273 | — |
| P42/nnm (No. 134) | tetragonal | 0.00 | 0.0000 | 0.219 | — |
| P42/nnm (No. 134) | tetragonal | 0.00 | 0.0000 | 0.143 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0197 | -7.327 | 2.32 |
Applications
Where Boron is used.
Frequently Asked Questions
Common questions about Boron, answered from cross-validated data.
What is B?
Boron is a versatile, thermodynamically stable semiconducting element characterized by an exceptional variety of structural arrangements.
What is B used for?
What is the band gap of B?
Is B a metal, semiconductor, or insulator?
Is B thermodynamically stable?
What is the crystal structure of B?
How many polymorphs of B are known?
What elements does B contain?
Where does the data for B come from?
How It Compares
As a pure element, boron occupies a singular position in materials science, serving as the elemental building block for a vast array of boride compounds. Unlike complex multi-element systems, its behavior is defined by its own intrinsic allotropic variety, making it the primary reference point for all boron-based material research.
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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