ScP
Scandium phosphide is a stable semiconducting material used in fundamental materials science research.
About ScP
Scandium phosphide is a semiconducting binary compound that exists in a thermodynamically stable state on the convex hull. Its structural integrity makes it a subject of significant interest within materials science research, particularly for those investigating stable pnictide phases.
With a high degree of structural data available across multiple databases, this compound is well-characterized for its electronic properties. It serves as a foundational material for understanding the bonding and stability trends inherent in transition metal phosphides.
Key Properties
Cross-validated computational properties for ScP, 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 ScP. 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 ScP, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -1.603 | — |
| — | — | 0.00 | 0.0000 | -1.619 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -11.867 | 3.34 |
| — | — | 0.00 | 0.0002 | -1.619 | — |
| — | — | 0.00 | 0.1125 | -1.507 | — |
| — | — | 0.00 | 0.1126 | -1.506 | — |
| — | — | 0.00 | 0.2212 | -1.398 | — |
| — | — | 0.00 | 0.3128 | -1.306 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.3253 | -1.277 | — |
| — | — | 0.44 | 0.3258 | -1.293 | — |
| F-43m (No. 216) | cubic | 1.62 | 0.5312 | -11.335 | 2.41 |
| — | — | 1.71 | 0.5315 | -1.088 | — |
Applications
Where ScP is used.
Frequently Asked Questions
Common questions about ScP, answered from cross-validated data.
What is ScP?
Scandium phosphide is a stable semiconducting material used in fundamental materials science research.
What is ScP used for?
What is the band gap of ScP?
Is ScP a metal, semiconductor, or insulator?
Is ScP thermodynamically stable?
What is the crystal structure of ScP?
How many polymorphs of ScP are known?
What elements does ScP contain?
Where does the data for ScP come from?
How It Compares
As a stable semiconducting phosphide, ScP represents a robust example of a transition metal pnictide. While it stands as a distinct material within this chemical family, its stability and electronic character provide a critical benchmark for evaluating the behavior of other scandium-based compounds.
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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