P2Ru
P2Ru is a thermodynamically stable, semiconducting intermetallic compound composed of phosphorus and ruthenium that serves as a specialized catalyst.
About P2Ru
P2Ru is a semiconducting member of the platinum-group alloy catalysts, characterized by its high thermodynamic stability. As a compound residing on the convex hull, it represents a robust phase that maintains structural integrity under various conditions, making it a subject of significant interest for researchers investigating stable intermetallic systems. The material's electronic nature distinguishes it from purely metallic counterparts, offering unique pathways for catalytic activity.
With extensive documentation across multiple databases, this compound is well-characterized, providing a reliable foundation for exploring its potential in chemical synthesis and energy-related technologies. Its structural diversity suggests a versatile platform for tuning catalytic performance through compositional adjustments or surface engineering.
Key Properties
Cross-validated computational properties for P2Ru, 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.
Reported Structures
Lowest-energy structures reported for P2Ru, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 0.48 | 0.0000 | -15.151 | 6.20 |
| P1 (No. 1) | Triclinic | — | — | — | 3.80 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.02 |
| Pnnm (No. 58) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 5.07 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.25 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.29 |
| P21 (No. 4) | Monoclinic | — | — | — | 5.07 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.84 |
| P1 (No. 1) | Triclinic | — | — | — | 5.07 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 8.33 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 6.37 |
Applications
Where P2Ru is used.
Frequently Asked Questions
Common questions about P2Ru, answered from cross-validated data.
What is P2Ru?
P2Ru is a thermodynamically stable, semiconducting intermetallic compound composed of phosphorus and ruthenium that serves as a specialized catalyst.
What is P2Ru used for?
What is the band gap of P2Ru?
Is P2Ru a metal, semiconductor, or insulator?
Is P2Ru thermodynamically stable?
What is the crystal structure of P2Ru?
What is the density of P2Ru?
How many polymorphs of P2Ru are known?
What elements does P2Ru contain?
Where does the data for P2Ru come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, P2Ru stands out for its specific stoichiometry and semiconducting behavior compared to metallic siblings like P3Ru. While many members of this class are explored for their conductive properties in electrochemical applications, P2Ru offers a distinct electronic profile that may be advantageous for selective catalysis where traditional metallic alloys might be less effective.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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