Au2Mn1Pd1
Au2Mn1Pd1 is a semiconducting ternary alloy composed of gold, manganese, and palladium that is primarily studied for its structural complexity within the platinum-group catalyst class.
About Au2Mn1Pd1
Au2Mn1Pd1 is a complex ternary alloy within the platinum-group catalyst family. Characterized by its semiconducting electronic nature, this material represents a unique intersection of noble metals and transition elements, drawing significant interest for its potential in specialized catalytic processes. Its structural diversity is highlighted by numerous reported configurations, reflecting the intricate bonding environment between gold, manganese, and palladium atoms. Although it is currently classified as thermodynamically unstable relative to the ground state, its existence in multiple structural forms provides valuable insights into the phase space of ternary precious metal alloys. This compound serves as a model system for understanding how alloying elements can tune the electronic properties of platinum-group materials.
Key Properties
Cross-validated computational properties for Au2Mn1Pd1, aggregated across 2 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 Au2Mn1Pd1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.64 | 1.7295 | -3.637 | 1.12 |
| Cmmm (No. 65) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Au2Mn1Pd1 is used.
Frequently Asked Questions
Common questions about Au2Mn1Pd1, answered from cross-validated data.
What is Au2Mn1Pd1?
Au2Mn1Pd1 is a semiconducting ternary alloy composed of gold, manganese, and palladium that is primarily studied for its structural complexity within the platinum-group catalyst class.
What is Au2Mn1Pd1 used for?
What is the band gap of Au2Mn1Pd1?
Is Au2Mn1Pd1 a metal, semiconductor, or insulator?
Is Au2Mn1Pd1 thermodynamically stable?
What is the crystal structure of Au2Mn1Pd1?
What is the density of Au2Mn1Pd1?
How many polymorphs of Au2Mn1Pd1 are known?
What elements does Au2Mn1Pd1 contain?
Where does the data for Au2Mn1Pd1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
In contrast to more stable binary compounds within the platinum-group alloy class like BaPd or GeRu, Au2Mn1Pd1 exists as a metastable phase. While many of its siblings in this class, such as LaRh, are studied for their robust metallic or superconducting properties, Au2Mn1Pd1 is distinct due to its semiconducting character, marking it as a specialized outlier compared to the typically metallic nature of its peers.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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