MgPd
MgPd is a stable metallic alloy composed of magnesium and palladium that functions as a catalyst in advanced materials applications.
About MgPd
MgPd 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 represents a robust structural configuration that is well-documented across multiple materials databases. Its metallic nature suggests high electrical conductivity, which is a critical trait for catalytic performance in electrochemical environments.
The material is highly significant due to its structural stability and the unique synergy between magnesium and palladium. It serves as a model system for understanding how alloying noble metals with lighter elements can tune catalytic activity and surface reactivity, making it a subject of interest for researchers investigating efficient chemical transformations.
Key Properties
Cross-validated computational properties for MgPd, 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 MgPd. 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 MgPd, 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 | -4.132 | 6.91 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.75 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.62 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.48 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.76 |
| P-6m2 (No. 187) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 6.88 |
| Pm-3m (No. 221) | Cubic | — | — | — | 6.87 |
| P1 (No. 1) | Triclinic | — | — | — | 3.45 |
| P1 (No. 1) | Triclinic | — | — | — | 2.62 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.29 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.25 |
Applications
Where MgPd is used.
Frequently Asked Questions
Common questions about MgPd, answered from cross-validated data.
What is MgPd?
MgPd is a stable metallic alloy composed of magnesium and palladium that functions as a catalyst in advanced materials applications.
What is MgPd used for?
What is the band gap of MgPd?
Is MgPd a metal, semiconductor, or insulator?
Is MgPd thermodynamically stable?
What is the crystal structure of MgPd?
What is the density of MgPd?
How many polymorphs of MgPd are known?
What elements does MgPd contain?
Where does the data for MgPd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, MgPd stands out for its thermodynamic stability compared to more complex or metastable compounds like Ga2Ru or IrSe2. While many siblings in this class, such as BaPd or LaRh, focus on specific electronic tuning, MgPd represents a fundamental binary alloy that provides a baseline for understanding the structural and catalytic behavior of palladium-based systems.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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