AsP
AsP is a metastable semiconducting compound composed of arsenic and phosphorus that is primarily utilized in fundamental materials science research.
About AsP
AsP is a binary compound composed of arsenic and phosphorus, characterized by its semiconducting electronic nature. As a metastable material, it represents a complex structural landscape that has been the subject of extensive investigation across multiple databases. Its existence highlights the intricate bonding possibilities between pnictogen elements.
The material is significant for researchers exploring non-traditional semiconductor architectures. Due to its metastable state, it offers unique pathways for phase engineering and potential applications in specialized electronic devices where tunable properties are required.
Key Properties
Cross-validated computational properties for AsP, 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 AsP. 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 AsP, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.041 | — |
| — | — | 0.15 | 0.0145 | -0.027 | — |
| C2/m (No. 12) | monoclinic | 0.46 | 0.0591 | -11.796 | 3.81 |
| — | — | 0.44 | 0.0600 | 0.019 | — |
| — | — | 0.52 | 0.0673 | 0.026 | — |
| — | — | 0.59 | 0.0713 | 0.030 | — |
| — | — | 0.44 | 0.0728 | 0.031 | — |
| R3m (No. 160) | trigonal | 0.00 | 0.0831 | -11.772 | 4.49 |
| — | — | 0.00 | 0.0961 | 0.055 | — |
| Pm (No. 6) | monoclinic | 0.00 | 0.1871 | 0.187 | — |
| — | — | 0.00 | 0.3068 | 0.265 | — |
| — | — | 0.00 | 0.3123 | 0.271 | — |
Applications
Where AsP is used.
Frequently Asked Questions
Common questions about AsP, answered from cross-validated data.
What is AsP?
AsP is a metastable semiconducting compound composed of arsenic and phosphorus that is primarily utilized in fundamental materials science research.
What is AsP used for?
What is the band gap of AsP?
Is AsP a metal, semiconductor, or insulator?
Is AsP thermodynamically stable?
What is the crystal structure of AsP?
What is the density of AsP?
How many polymorphs of AsP are known?
What elements does AsP contain?
Where does the data for AsP come from?
How It Compares
As a standalone entry in this context, AsP serves as a fundamental example of pnictogen-based semiconductors, illustrating the challenges and opportunities inherent in synthesizing and stabilizing metastable binary phases.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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