P4Ru
Ruthenium phosphide is a binary inorganic compound composed of ruthenium and phosphorus. It is primarily studied for its potential roles in catalytic processes and as a precursor material in solid-state chemistry research.
Overview
Key Properties
Cross-validated computational properties for P4Ru, 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.
0.73–1.26 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
22
3 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for P4Ru, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.26 | 0.0000 | -12.801 | 4.80 |
| P21/c (No. 14) | monoclinic | 0.73 | 0.0162 | -12.785 | 4.84 |
| P-1 (No. 2) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.92 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.73 |
| Pm-3m (No. 221) | Cubic | — | — | — | 4.00 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.80 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.17 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.12 |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.27 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.15 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 3.23 |
Uses
Applications
Where P4Ru is used.
Catalysis researchSolid-state chemistryMaterials science development
Reference
Frequently Asked Questions
Common questions about P4Ru, answered from cross-validated data.
What is P4Ru?
Ruthenium phosphide is a binary inorganic compound composed of ruthenium and phosphorus. It is primarily studied for its potential roles in catalytic processes and as a precursor material in solid-state chemistry research.
More questions
What is P4Ru used for?
P4Ru is used in catalysis research, solid-state chemistry, and materials science development.
What is the band gap of P4Ru?
P4Ru has a DFT-computed band gap of 0.73–1.26 eV across 22 reported structures.
Is P4Ru a metal, semiconductor, or insulator?
With a band gap up to 1.26 eV it is a semiconductor.
Is P4Ru thermodynamically stable?
Yes — P4Ru sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of P4Ru?
The lowest-energy reported polymorph of P4Ru is triclinic symmetry, space group P-1 (No. 2).
What is the density of P4Ru?
The computed density of the ground-state structure of P4Ru is 4.80 g/cm³.
How many polymorphs of P4Ru are known?
22 structures of P4Ru are reported across 3 databases, spanning 8 distinct space groups.
What elements does P4Ru contain?
P4Ru contains P and Ru (2 elements).
Where does the data for P4Ru come from?
P4Ru data is cross-referenced from materials_project, jarvis, mpaloe.
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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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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