BP
boron phosphide · monoboron monophosphide
Boron phosphide is a stable, semiconducting inorganic compound used primarily in advanced electronic and high-temperature material applications.
About boron phosphide
Boron phosphide is a robust, thermodynamically stable binary compound that occupies a distinct position in semiconductor research. Its structural integrity is highlighted by a vast array of documented configurations across multiple databases, reflecting its significant interest within the materials science community.
Due to its semiconducting nature, this material is highly valued for specialized electronic applications where thermal and chemical resilience are paramount. Its ability to maintain stability under demanding conditions makes it a subject of ongoing investigation for next-generation device development.
Key Properties
Cross-validated computational properties for boron phosphide, 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 BP. 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 BP, 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 | 1.51 | 0.0000 | -0.453 | — |
| — | — | 1.37 | 0.0000 | -0.535 | — |
| F-43m (No. 216) | cubic | 1.24 | 0.0000 | -8.658 | 2.98 |
| — | — | 1.29 | 0.0110 | -0.524 | — |
| P63mc (No. 186) | hexagonal | 1.08 | 0.0141 | -8.643 | 2.98 |
| P63mc (No. 186) | hexagonal | 1.38 | 0.0143 | -0.439 | — |
| Cm (No. 8) | monoclinic | 0.33 | 0.4028 | -0.051 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.6699 | 0.217 | — |
| — | — | 0.00 | 0.8346 | 0.300 | — |
| — | — | 0.00 | 1.0641 | 0.529 | — |
| — | — | 0.00 | 1.0643 | 0.529 | — |
| — | — | 0.00 | 1.1362 | 0.601 | — |
Applications
Where boron phosphide is used.
Frequently Asked Questions
Common questions about boron phosphide, answered from cross-validated data.
What is BP?
Boron phosphide is a stable, semiconducting inorganic compound used primarily in advanced electronic and high-temperature material applications.
What is BP used for?
What is the band gap of BP?
Is BP a metal, semiconductor, or insulator?
Is BP thermodynamically stable?
What is the crystal structure of BP?
How many polymorphs of BP are known?
What elements does BP contain?
Where does the data for BP come from?
How It Compares
As a standalone binary semiconductor, boron phosphide serves as a fundamental reference point for studying the bonding interactions between group thirteen and group fifteen elements. Its position on the convex hull underscores its exceptional stability compared to many other potential boron-phosphorus combinations.
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.
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