P2Pt
P2Pt is a thermodynamically stable, semiconducting platinum-phosphide alloy used in materials science research.
About P2Pt
P2Pt is a thermodynamically stable compound within the platinum-group alloy class, characterized by its distinct semiconducting electronic nature. Its position on the convex hull indicates a robust structural integrity that makes it a significant subject for materials research. The compound is supported by an extensive collection of reported structures across multiple databases, highlighting its importance in fundamental solid-state chemistry. As a member of this catalytic family, it serves as a platform for exploring electronic properties in metal-phosphide systems. Its stability and semiconducting behavior suggest unique pathways for charge transport and surface reactivity, which are essential for developing advanced catalytic materials. Researchers often investigate such compounds to understand how metal-metalloid bonding influences overall performance in chemical transformations.
Key Properties
Cross-validated computational properties for P2Pt, aggregated across 5 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 P2Pt. 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 P2Pt, 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. |
|---|---|---|---|---|---|
| — | — | 1.24 | 0.0000 | -0.856 | — |
| Pa-3 (No. 205) | cubic | 1.02 | 0.0000 | -0.685 | — |
| Pa-3 (No. 205) | cubic | 1.02 | 0.0000 | -23.954 | 9.11 |
| — | — | 0.00 | 0.4735 | -0.383 | — |
| — | — | 0.00 | 1.4146 | 0.558 | — |
| — | — | 0.00 | 1.4724 | 0.616 | — |
| P1 (No. 1) | triclinic | — | — | — | 7.71 |
| P-1 (No. 2) | triclinic | — | — | — | 11.76 |
| P1 (No. 1) | triclinic | — | — | — | 7.10 |
| P-1 (No. 2) | triclinic | — | — | — | 7.67 |
| P-1 (No. 2) | triclinic | — | — | — | 4.96 |
| C2 (No. 5) | monoclinic | — | — | — | 9.46 |
Applications
Where P2Pt is used.
Frequently Asked Questions
Common questions about P2Pt, answered from cross-validated data.
What is P2Pt?
P2Pt is a thermodynamically stable, semiconducting platinum-phosphide alloy used in materials science research.
What is P2Pt used for?
What is the band gap of P2Pt?
Is P2Pt a metal, semiconductor, or insulator?
Is P2Pt thermodynamically stable?
What is the crystal structure of P2Pt?
How many polymorphs of P2Pt are known?
What elements does P2Pt contain?
Where does the data for P2Pt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, P2Pt distinguishes itself through its specific semiconducting character, contrasting with the more metallic or varied electronic profiles found in siblings like LaRh or BaPd. While compounds such as As2Pt share similar structural motifs as pnictide-based platinum-group materials, P2Pt occupies a unique niche in terms of its thermodynamic stability and structural prevalence, making it a highly reliable candidate for systematic studies compared to more complex or less stable members like Ga2Ru.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
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.
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