P4Ru4Se4
P4Ru4Se4 is a metastable, semiconducting ternary alloy containing phosphorus, ruthenium, and selenium used in catalytic research.
About P4Ru4Se4
P4Ru4Se4 is a complex ternary compound within the platinum-group alloy catalyst family. Characterized by its semiconducting electronic nature, it offers a unique structural framework that distinguishes it from traditional metallic alloys in this class.
As a metastable phase, this material is of significant interest for researchers investigating non-equilibrium synthesis pathways. Its existence across multiple databases highlights its role as a subject of ongoing structural study in the development of specialized catalytic materials.
Key Properties
Cross-validated computational properties for P4Ru4Se4, 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.
Reported Structures
Lowest-energy structures reported for P4Ru4Se4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.23 | 0.0600 | -16.785 | 7.00 |
| — | — | — | — | — | 5.11 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where P4Ru4Se4 is used.
Frequently Asked Questions
Common questions about P4Ru4Se4, answered from cross-validated data.
What is P4Ru4Se4?
P4Ru4Se4 is a metastable, semiconducting ternary alloy containing phosphorus, ruthenium, and selenium used in catalytic research.
What is P4Ru4Se4 used for?
What is the band gap of P4Ru4Se4?
Is P4Ru4Se4 a metal, semiconductor, or insulator?
Is P4Ru4Se4 thermodynamically stable?
What is the crystal structure of P4Ru4Se4?
What is the density of P4Ru4Se4?
How many polymorphs of P4Ru4Se4 are known?
What elements does P4Ru4Se4 contain?
Where does the data for P4Ru4Se4 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, P4Ru4Se4 occupies a distinct niche compared to more conventional binary systems like P3Ru or Ga2Ru. While many of its siblings exhibit metallic behavior, the semiconducting nature of this phosphorus-ruthenium-selenium compound suggests different charge-transfer dynamics, making it a specialized candidate for catalytic applications where electronic tuning is essential.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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