MnPd
MnPd is a metallic binary alloy of manganese and palladium used in the study and development of platinum-group catalytic materials.
About MnPd
MnPd is a metallic alloy composed of manganese and palladium, belonging to the class of platinum-group alloy catalysts. Its electronic character, defined by a lack of a band gap, makes it a highly conductive material suitable for specialized catalytic processes where electron transfer is critical.
As a near-hull compound, it is considered thermodynamically stable and likely synthesizable under laboratory conditions. With significant structural data available, it serves as a robust candidate for researchers investigating the synergy between transition metals and noble metals in catalytic environments.
Key Properties
Cross-validated computational properties for MnPd, 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 MnPd. 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 MnPd, 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 | 0.0022 | -7.371 | 8.90 |
| — | — | 0.00 | 0.0069 | -0.194 | — |
| — | — | 0.00 | 0.0073 | -0.193 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0093 | -7.364 | 8.91 |
| — | — | 0.00 | 0.0481 | -0.153 | — |
| — | — | 0.00 | 0.1659 | -0.035 | — |
| — | — | 0.00 | 0.1668 | -0.034 | — |
| — | — | 0.00 | 0.1766 | -0.024 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.4363 | 0.296 | — |
| — | — | 0.00 | 0.4918 | 0.291 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.6864 | 0.546 | — |
| — | — | 0.00 | 1.3273 | 1.127 | — |
Applications
Where MnPd is used.
Frequently Asked Questions
Common questions about MnPd, answered from cross-validated data.
What is MnPd?
MnPd is a metallic binary alloy of manganese and palladium used in the study and development of platinum-group catalytic materials.
What is MnPd used for?
What is the band gap of MnPd?
Is MnPd a metal, semiconductor, or insulator?
Is MnPd thermodynamically stable?
What is the crystal structure of MnPd?
What is the density of MnPd?
How many polymorphs of MnPd are known?
What elements does MnPd contain?
Where does the data for MnPd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, MnPd distinguishes itself through its specific manganese-palladium stoichiometry compared to more complex systems like As2Pt or Ga2Ru. While many of its siblings exhibit varied coordination environments, MnPd remains a notable example of a binary alloy that balances the catalytic activity of palladium with the magnetic and electronic contributions of manganese.
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)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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