NbRh
NbRh is a thermodynamically stable metallic alloy composed of niobium and rhodium, primarily utilized in the study of platinum-group catalytic materials.
About NbRh
NbRh is a metallic intermetallic compound belonging to the class of platinum-group alloy catalysts. As a thermodynamically stable phase residing on the convex hull, it exhibits robust structural integrity, making it a subject of significant interest for materials scientists investigating catalytic performance. Its metallic nature suggests high electrical conductivity, which is a critical trait for electrochemical applications. The material is characterized by a high degree of structural diversity, supported by extensive data across multiple research databases. This stability and electronic profile position it as a potential candidate for specialized catalytic processes where durability and electron transport are paramount.
Key Properties
Cross-validated computational properties for NbRh, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NbRh. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for NbRh, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0000 | -9.134 | 10.27 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0062 | -9.128 | 10.27 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0156 | -9.119 | 10.24 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0234 | -9.111 | 10.20 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 10.38 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 10.27 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 10.29 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 10.27 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.79 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.57 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.22 |
Applications
Where NbRh is used.
Frequently Asked Questions
Common questions about NbRh, answered from cross-validated data.
What is NbRh?
NbRh is a thermodynamically stable metallic alloy composed of niobium and rhodium, primarily utilized in the study of platinum-group catalytic materials.
What is NbRh used for?
What is the band gap of NbRh?
Is NbRh a metal, semiconductor, or insulator?
Is NbRh thermodynamically stable?
What is the crystal structure of NbRh?
What is the density of NbRh?
How many polymorphs of NbRh are known?
What elements does NbRh contain?
Where does the data for NbRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloy catalysts, NbRh stands out for its thermodynamic stability compared to more complex or metastable compounds like Ga2Ru or As2Ir. While many members of this class, such as LaRh, are studied for their specific magnetic or structural transitions, NbRh is notable for its position on the convex hull, indicating a highly favorable formation energy that distinguishes it from less stable counterparts in the group.
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).
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