SrP
SrP is a stable, semiconducting binary phosphide composed of strontium and phosphorus.
About SrP
SrP is a binary phosphide characterized by its semiconducting electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within the strontium-phosphorus system, offering a reliable structural framework for materials science investigations. Its existence across numerous reported structures underscores its significance in solid-state chemistry and its potential as a building block for complex inorganic architectures. The compound is primarily utilized in fundamental research aimed at understanding the interplay between alkaline earth metals and pnictogens in semiconductor design.
Key Properties
Cross-validated computational properties for SrP, 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 SrP. 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 SrP, 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. |
|---|---|---|---|---|---|
| P-62m (No. 189) | hexagonal | 0.65 | 0.0000 | -1.178 | — |
| — | — | 0.57 | 0.0000 | -1.176 | — |
| P-62m (No. 189) | hexagonal | 0.46 | 0.0000 | -13.284 | 3.45 |
| — | — | 0.00 | 0.3723 | -0.804 | — |
| — | — | 0.00 | 0.3998 | -0.777 | — |
| — | — | 0.00 | 0.4101 | -0.766 | — |
| — | — | 0.00 | 0.4113 | -0.765 | — |
| — | — | 0.00 | 0.5072 | -0.669 | — |
| — | — | 0.00 | 0.5632 | -0.613 | — |
| — | — | 0.00 | 0.8517 | -0.325 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.99 |
| P-1 (No. 2) | triclinic | — | — | — | 2.81 |
Applications
Where SrP is used.
Frequently Asked Questions
Common questions about SrP, answered from cross-validated data.
What is SrP?
SrP is a stable, semiconducting binary phosphide composed of strontium and phosphorus.
What is SrP used for?
What is the band gap of SrP?
Is SrP a metal, semiconductor, or insulator?
Is SrP thermodynamically stable?
What is the crystal structure of SrP?
How many polymorphs of SrP are known?
What elements does SrP contain?
Where does the data for SrP come from?
How It Compares
As a stable binary phosphide, SrP serves as a foundational reference point for exploring the broader landscape of strontium-based pnictide materials, providing a baseline for structural and electronic stability in this chemical class.
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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