B6P
boron subphosphide · boron phosphide
Boron subphosphide is a stable, semiconducting binary compound formed from boron and phosphorus.
About boron subphosphide
Boron subphosphide is a crystalline semiconductor composed of boron and phosphorus. As a thermodynamically stable phase located on the convex hull, it exhibits robust structural integrity that makes it an intriguing candidate for specialized electronic and optoelectronic environments.
Its unique atomic arrangement allows it to maintain stability under demanding conditions. Researchers study this material to leverage its semiconducting nature for applications that require high thermal and chemical resilience, distinguishing it from more common, less stable binary compounds.
Key Properties
Cross-validated computational properties for boron subphosphide, 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.
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 B6P. 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 B6P, 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 | 2.55 | 0.0000 | -0.306 | — |
| — | — | 2.52 | 0.0000 | -0.327 | — |
| R-3m (No. 166) | trigonal | 2.48 | 0.0000 | -7.909 | 2.61 |
| Cm (No. 8) | monoclinic | — | — | — | 2.76 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.14 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.87 |
| R-3m (No. 166) | trigonal | — | — | — | 2.59 |
| R-3m (No. 166) | trigonal | — | — | — | 2.61 |
| R-3m (No. 166) | trigonal | — | — | — | 2.62 |
Applications
Where boron subphosphide is used.
Frequently Asked Questions
Common questions about boron subphosphide, answered from cross-validated data.
What is B6P?
Boron subphosphide is a stable, semiconducting binary compound formed from boron and phosphorus.
What is B6P used for?
What is the band gap of B6P?
Is B6P a metal, semiconductor, or insulator?
Is B6P thermodynamically stable?
What is the crystal structure of B6P?
How many polymorphs of B6P are known?
What elements does B6P contain?
Where does the data for B6P come from?
How It Compares
As a thermodynamically stable binary phase, this compound represents a well-defined structural archetype within the boron-phosphorus system. It occupies a distinct niche where its stability and electronic properties are balanced, serving as a foundational reference point for exploring the broader landscape of boron-rich phosphides.
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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