FePRh
This compound is a ternary intermetallic material composed of iron, phosphorus, and rhodium. It is primarily studied in materials science research for its unique structural and magnetic properties.
Overview
Key Properties
Cross-validated computational properties for FePRh, 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.
0.140 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.
Above hull
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
5 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for FePRh, 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-62m (No. 189) | hexagonal | 0.00 | 0.1399 | -7.544 | 8.12 |
| P4/nmm (No. 129) | — | — | — | — | — |
| Pm (No. 6) | Monoclinic | — | — | — | 2.62 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 3.88 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.41 |
| — | — | — | — | — | — |
| — | — | — | — | — | 5.85 |
Uses
Applications
Where FePRh is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about FePRh, answered from cross-validated data.
What is FePRh?
This compound is a ternary intermetallic material composed of iron, phosphorus, and rhodium. It is primarily studied in materials science research for its unique structural and magnetic properties.
More questions
What is FePRh used for?
FePRh is used in materials science research and solid-state physics studies.
What is the band gap of FePRh?
FePRh is computed to be metallic (no band gap) in the reported DFT structures.
Is FePRh a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is FePRh thermodynamically stable?
FePRh has a lowest energy above hull of 0.140 eV/atom (above hull).
What is the crystal structure of FePRh?
The lowest-energy reported polymorph of FePRh is hexagonal symmetry, space group P-62m (No. 189).
What is the density of FePRh?
The computed density of the ground-state structure of FePRh is 8.12 g/cm³.
How many polymorphs of FePRh are known?
7 structures of FePRh are reported across 5 databases, spanning 4 distinct space groups.
What elements does FePRh contain?
FePRh contains Fe, P, and Rh (3 elements).
Where does the data for FePRh come from?
FePRh data is cross-referenced from materials_project, nomad, mpaloe, alexandria, omat24.
Explore
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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