Mg1Pd2Y1
Mg1Pd2Y1 is a semimetallic ternary alloy containing magnesium, palladium, and yttrium that is primarily investigated for its structural and electronic properties in catalytic research.
About Mg1Pd2Y1
Mg1Pd2Y1 is a complex ternary alloy categorized within the platinum-group catalyst family. Characterized by a semimetallic electronic structure, this compound represents a unique intersection of magnesium, palladium, and yttrium, offering distinct electronic pathways that are of interest in fundamental materials research.
While the compound exhibits a high degree of structural diversity with numerous reported configurations, it is noted for its position above the thermodynamic hull. This suggests that while it can be synthesized, it remains a metastable phase that requires specific conditions to maintain its structural integrity compared to more stable intermetallic counterparts.
Key Properties
Cross-validated computational properties for Mg1Pd2Y1, 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 Mg1Pd2Y1, 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 | 0.01 | 1.9872 | -3.446 | 0.54 |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Mg1Pd2Y1 is used.
Frequently Asked Questions
Common questions about Mg1Pd2Y1, answered from cross-validated data.
What is Mg1Pd2Y1?
Mg1Pd2Y1 is a semimetallic ternary alloy containing magnesium, palladium, and yttrium that is primarily investigated for its structural and electronic properties in catalytic research.
What is Mg1Pd2Y1 used for?
What is the band gap of Mg1Pd2Y1?
Is Mg1Pd2Y1 a metal, semiconductor, or insulator?
Is Mg1Pd2Y1 thermodynamically stable?
What is the crystal structure of Mg1Pd2Y1?
What is the density of Mg1Pd2Y1?
How many polymorphs of Mg1Pd2Y1 are known?
What elements does Mg1Pd2Y1 contain?
Where does the data for Mg1Pd2Y1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Mg1Pd2Y1 occupies a niche role compared to more stable, binary-heavy systems like BaPd or GeRu. Unlike the highly ordered structures often found in simpler binary platinum-group compounds, this ternary alloy highlights the complexities of integrating magnesium and yttrium into a palladium-rich matrix, resulting in a more delicate thermodynamic profile.
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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