BAs
Boron arsenide · Boron monoarsenide
Boron arsenide is a semiconducting compound formed from boron and arsenic that is studied for its specialized electronic and thermal properties.
About Boron arsenide
Boron arsenide is a binary semiconductor composed of boron and arsenic. It is recognized for its intriguing electronic character and has been the subject of extensive structural investigation, appearing in numerous reported configurations across scientific databases.
As a metastable compound, it represents a specialized material within the semiconductor landscape. Its synthesis and stability are of significant interest to researchers aiming to leverage its distinct physical properties for next-generation electronic devices.
Key Properties
Cross-validated computational properties for Boron arsenide, aggregated across 3 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 BAs. 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 BAs, 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 | 1.30 | 0.0768 | -0.022 | — |
| — | — | 1.42 | 0.0775 | -0.022 | — |
| F-43m (No. 216) | cubic | 1.20 | 0.0804 | -11.069 | 5.09 |
| F-43m (No. 216) | cubic | 1.42 | 0.0835 | -0.015 | — |
| — | — | 1.22 | 0.0869 | -0.013 | — |
| P63mc (No. 186) | hexagonal | 1.14 | 0.0895 | -11.059 | 5.10 |
| P63mc (No. 186) | hexagonal | 1.36 | 0.0958 | -0.003 | — |
| — | — | 0.00 | 0.5865 | 0.487 | — |
| — | — | 0.00 | 0.9679 | 0.868 | — |
| — | — | 0.00 | 0.9681 | 0.868 | — |
| — | — | 0.00 | 1.1865 | 1.087 | — |
| — | — | 0.00 | 1.6116 | 1.512 | — |
Applications
Where Boron arsenide is used.
Frequently Asked Questions
Common questions about Boron arsenide, answered from cross-validated data.
What is BAs?
Boron arsenide is a semiconducting compound formed from boron and arsenic that is studied for its specialized electronic and thermal properties.
What is BAs used for?
What is the band gap of BAs?
Is BAs a metal, semiconductor, or insulator?
Is BAs thermodynamically stable?
What is the crystal structure of BAs?
How many polymorphs of BAs are known?
What elements does BAs contain?
Where does the data for BAs come from?
How It Compares
As a unique binary semiconductor, boron arsenide occupies a distinct niche in materials science. Unlike more conventional or widely utilized semiconductors, its metastable nature requires precise control during synthesis, making it a subject of fundamental study to understand its potential in high-performance thermal management and electronic circuitry.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze BAs in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →