P3Rh
This compound is a phosphide of rhodium that belongs to the transition metal phosphide family. It is primarily studied in academic research for its structural properties and potential roles in catalytic processes.
Overview
Key Properties
Cross-validated computational properties for P3Rh, 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.
Metallic / not reported
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)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
33
5 databases, 11 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for P3Rh, 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. |
|---|---|---|---|---|---|
| Im-3 (No. 204) | cubic | 0.00 | 0.0000 | -13.438 | 5.04 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.33 |
| Im-3 (No. 204) | Cubic | — | — | — | 5.15 |
| Im-3 (No. 204) | Cubic | — | — | — | 4.97 |
| — | — | — | — | — | 4.50 |
| — | — | — | — | — | 4.50 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.03 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.54 |
| — | — | — | — | — | 4.65 |
| Im-3 (No. 204) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 5.47 |
Uses
Applications
Where P3Rh is used.
Materials science researchCatalysis studies
Reference
Frequently Asked Questions
Common questions about P3Rh, answered from cross-validated data.
What is P3Rh?
This compound is a phosphide of rhodium that belongs to the transition metal phosphide family. It is primarily studied in academic research for its structural properties and potential roles in catalytic processes.
More questions
What is P3Rh used for?
P3Rh is used in materials science research and catalysis studies.
What is the band gap of P3Rh?
P3Rh is computed to be metallic (no band gap) in the reported DFT structures.
Is P3Rh a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is P3Rh thermodynamically stable?
Yes — P3Rh sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of P3Rh?
The lowest-energy reported polymorph of P3Rh is cubic symmetry, space group Im-3 (No. 204).
What is the density of P3Rh?
The computed density of the ground-state structure of P3Rh is 5.04 g/cm³.
How many polymorphs of P3Rh are known?
33 structures of P3Rh are reported across 5 databases, spanning 11 distinct space groups.
What elements does P3Rh contain?
P3Rh contains P and Rh (2 elements).
Where does the data for P3Rh come from?
P3Rh data is cross-referenced from materials_project, mpaloe, omat24, jarvis, nomad.
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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).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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