BP
Boron monophosphide · Boron phosphide
Boron monophosphide is a semiconductor material known for its high chemical stability and hardness. It is primarily researched for its potential in high-power electronic devices and as a component in specialized optoelectronic applications.
BP
Overview
Key Properties
Cross-validated computational properties for Boron monophosphide, 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.
1.06–1.24 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
122
6 databases, 28 space groups
Validation
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.
1.00 / 1.00
Trust tier: high
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
3
jarvis, materials_project, nomad
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
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 | 1.24 | 0.0000 | -8.658 | 2.98 |
| P63mc (No. 186) | hexagonal | 1.06 | 0.0141 | -8.643 | 2.98 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.18 |
| F-43m (No. 216) | — | — | — | — | — |
| Cc (No. 9) | Monoclinic | — | — | — | 3.59 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.30 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.87 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.60 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.60 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.30 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.28 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.47 |
Uses
Applications
Where Boron monophosphide is used.
Semiconductor researchHigh-power electronicsOptoelectronic devicesWear-resistant coatings
Reference
Frequently Asked Questions
Common questions about Boron monophosphide, answered from cross-validated data.
What is BP?
Boron monophosphide is a semiconductor material known for its high chemical stability and hardness. It is primarily researched for its potential in high-power electronic devices and as a component in specialized optoelectronic applications.
More questions
What is BP used for?
Boron monophosphide (BP) is used in semiconductor research, high-power electronics, optoelectronic devices, and wear-resistant coatings.
What is the band gap of BP?
Boron monophosphide (BP) has a DFT-computed band gap of 1.06–1.24 eV across 122 reported structures.
Is BP a metal, semiconductor, or insulator?
With a band gap up to 1.24 eV it is a semiconductor.
Is BP thermodynamically stable?
Yes — Boron monophosphide (BP) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of BP?
The lowest-energy reported polymorph of Boron monophosphide (BP) is cubic symmetry, space group F-43m (No. 216).
What is the density of BP?
The computed density of the ground-state structure of Boron monophosphide (BP) is 2.98 g/cm³.
How many polymorphs of BP are known?
122 structures of BP are reported across 6 databases, spanning 28 distinct space groups.
What elements does BP contain?
Boron monophosphide (BP) contains B and P (2 elements).
Where does the data for BP come from?
BP data is cross-referenced from materials_project, mpaloe, nomad, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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