SrP3
SrP3 is a thermodynamically stable semiconducting compound composed of strontium and phosphorus.
About SrP3
SrP3 is a distinct strontium phosphide that exists as a thermodynamically stable phase on the convex hull. Its electronic character identifies it as a semiconductor, making it a subject of interest for researchers investigating phosphorus-based inorganic compounds.
With numerous reported structures across multiple databases, this material is well-documented within the scientific community. Its stability and semiconducting nature suggest it may hold potential for specialized electronic or optoelectronic applications.
Key Properties
Cross-validated computational properties for SrP3, 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 SrP3. 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 SrP3, 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. |
|---|---|---|---|---|---|
| — | — | 0.57 | 0.0000 | -0.832 | — |
| C2/m (No. 12) | monoclinic | 0.40 | 0.0000 | -0.736 | — |
| C2/m (No. 12) | monoclinic | 0.38 | 0.0000 | -11.293 | 3.34 |
| C2/m (No. 12) | monoclinic | 0.07 | 0.0000 | -0.736 | — |
| — | — | 0.00 | 0.0023 | -0.829 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0047 | -11.288 | 3.37 |
| Cm (No. 8) | monoclinic | 0.00 | 0.2540 | -0.482 | — |
| — | — | 0.00 | 0.4321 | -0.400 | — |
| — | — | 0.00 | 0.6864 | -0.145 | — |
| — | — | 0.00 | 0.7844 | -0.047 | — |
| — | — | 0.00 | 0.9220 | 0.090 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 3.39 |
Applications
Where SrP3 is used.
Frequently Asked Questions
Common questions about SrP3, answered from cross-validated data.
What is SrP3?
SrP3 is a thermodynamically stable semiconducting compound composed of strontium and phosphorus.
What is SrP3 used for?
What is the band gap of SrP3?
Is SrP3 a metal, semiconductor, or insulator?
Is SrP3 thermodynamically stable?
What is the crystal structure of SrP3?
How many polymorphs of SrP3 are known?
What elements does SrP3 contain?
Where does the data for SrP3 come from?
How It Compares
As a stable semiconducting phosphide, SrP3 represents a significant entry in the study of alkaline earth metal phosphorus systems, serving as a foundational reference point for understanding the structural diversity and electronic behavior of this group of materials.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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