MgRh
MgRh is a thermodynamically stable metallic alloy composed of magnesium and rhodium that is studied for its catalytic potential.
About MgRh
MgRh 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 demonstrates robust structural integrity, making it a subject of significant interest in materials science research. Its metallic nature suggests high electrical conductivity, which is a critical attribute for its potential performance in catalytic environments.
The compound is characterized by high structural diversity, with numerous reported configurations across multiple databases. This structural richness highlights its versatility and the complexity of its bonding, which are essential factors for optimizing catalytic activity in industrial and chemical processes.
Key Properties
Cross-validated computational properties for MgRh, 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.
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 MgRh. 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 MgRh, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -4.947 | 7.18 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.504 | — |
| — | — | 0.00 | 0.0000 | -0.476 | — |
| — | — | 0.00 | 0.0003 | -0.476 | — |
| — | — | 0.00 | 0.0004 | -0.476 | — |
| — | — | 0.00 | 0.0011 | -0.475 | — |
| — | — | 0.00 | 0.0461 | -0.430 | — |
| — | — | 0.00 | 0.0526 | -0.424 | — |
| — | — | 0.00 | 0.1272 | -0.349 | — |
| — | — | 0.00 | 0.1356 | -0.341 | — |
| — | — | 0.00 | 0.1408 | -0.336 | — |
| — | — | 0.00 | 0.1473 | -0.329 | — |
Applications
Where MgRh is used.
Frequently Asked Questions
Common questions about MgRh, answered from cross-validated data.
What is MgRh?
MgRh is a thermodynamically stable metallic alloy composed of magnesium and rhodium that is studied for its catalytic potential.
What is MgRh used for?
What is the band gap of MgRh?
Is MgRh a metal, semiconductor, or insulator?
Is MgRh thermodynamically stable?
What is the crystal structure of MgRh?
What is the density of MgRh?
How many polymorphs of MgRh are known?
What elements does MgRh contain?
Where does the data for MgRh come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, MgRh stands out as a stable metallic phase compared to more complex systems like As2Pt or Ga2Ru. While many members of this class exhibit specialized stoichiometry, MgRh maintains a relatively simple binary structure that serves as a fundamental model for understanding electron distribution and catalytic surface interactions in magnesium-rhodium systems.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
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