MgMnPd2
MgMnPd2 is a thermodynamically stable, semiconducting alloy composed of magnesium, manganese, and palladium that serves as a specialized material in the platinum-group catalyst family.
About MgMnPd2
MgMnPd2 is a specialized platinum-group alloy characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system, offering unique structural integrity for catalytic applications. Its composition integrates magnesium and manganese with palladium to form a distinct crystalline arrangement that has been documented across multiple structural databases. This material is of significant interest to researchers investigating the electronic tuning of precious metal alloys for specialized catalytic processes. By leveraging the interplay between its constituent elements, MgMnPd2 provides a stable platform for exploring charge transport and surface reactivity in complex alloy environments.
Key Properties
Cross-validated computational properties for MgMnPd2, 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.
Reported Structures
Lowest-energy structures reported for MgMnPd2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -5.756 | 7.91 |
| Immm (No. 71) | orthorhombic | 0.30 | 2.1146 | -3.642 | 0.57 |
| Cmmm (No. 65) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where MgMnPd2 is used.
Frequently Asked Questions
Common questions about MgMnPd2, answered from cross-validated data.
What is MgMnPd2?
MgMnPd2 is a thermodynamically stable, semiconducting alloy composed of magnesium, manganese, and palladium that serves as a specialized material in the platinum-group catalyst family.
What is MgMnPd2 used for?
What is the band gap of MgMnPd2?
Is MgMnPd2 a metal, semiconductor, or insulator?
Is MgMnPd2 thermodynamically stable?
What is the crystal structure of MgMnPd2?
What is the density of MgMnPd2?
How many polymorphs of MgMnPd2 are known?
What elements does MgMnPd2 contain?
Where does the data for MgMnPd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloy catalysts, MgMnPd2 stands out for its specific semiconducting behavior compared to more metallic counterparts like BaPd or LaRh. While many members of this class are primarily studied for their conductivity and high-temperature resilience, the electronic signature of MgMnPd2 suggests a different potential for surface-mediated reactions, positioning it as a distinct alternative to traditional noble metal catalysts like those found in the ruthenium-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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- alexandria — Data from alexandria.
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