Au1Mg1Pd2
Au1Mg1Pd2 is a thermodynamically stable semiconducting alloy composed of gold, magnesium, and palladium that is utilized in catalytic material studies.
About Au1Mg1Pd2
Au1Mg1Pd2 is a distinct semiconducting intermetallic compound within the class of platinum-group alloy catalysts. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a robust candidate for specialized catalytic research where structural integrity is paramount.
This material benefits from the electronic properties inherent to its specific atomic arrangement of gold, magnesium, and palladium. As a member of a well-documented class of alloys, it serves as a critical component in understanding how noble metal interactions can be tuned for advanced chemical reactivity.
Key Properties
Cross-validated computational properties for Au1Mg1Pd2, 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 Au1Mg1Pd2, 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 | -4.319 | 11.26 |
| Immm (No. 71) | orthorhombic | 0.31 | 2.1199 | -2.199 | 0.84 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Applications
Where Au1Mg1Pd2 is used.
Frequently Asked Questions
Common questions about Au1Mg1Pd2, answered from cross-validated data.
What is Au1Mg1Pd2?
Au1Mg1Pd2 is a thermodynamically stable semiconducting alloy composed of gold, magnesium, and palladium that is utilized in catalytic material studies.
What is Au1Mg1Pd2 used for?
What is the band gap of Au1Mg1Pd2?
Is Au1Mg1Pd2 a metal, semiconductor, or insulator?
Is Au1Mg1Pd2 thermodynamically stable?
What is the crystal structure of Au1Mg1Pd2?
What is the density of Au1Mg1Pd2?
How many polymorphs of Au1Mg1Pd2 are known?
What elements does Au1Mg1Pd2 contain?
Where does the data for Au1Mg1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, Au1Mg1Pd2 occupies a unique niche compared to siblings like BaPd or GeRu. While many members of this group exhibit metallic behavior, the semiconducting nature of this specific alloy distinguishes it from more traditional conductive catalysts, offering a different electronic landscape for surface interactions.
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).
Analyze Au1Mg1Pd2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →