Bi1Mg1Pd2
Bi1Mg1Pd2 is a semiconducting ternary alloy composed of bismuth, magnesium, and palladium that is primarily studied in the context of advanced catalyst development.
About Bi1Mg1Pd2
Bi1Mg1Pd2 is a specialized intermetallic compound categorized within the platinum-group alloy catalyst family. Its electronic character is defined by semiconducting behavior, distinguishing it from the typical metallic nature often associated with noble metal alloys.
While it has been documented across multiple structural configurations, the compound is characterized by its position above the thermodynamic hull. This suggests that the phase may be metastable, making it a subject of interest for researchers studying the synthesis and stability of complex ternary alloys.
Key Properties
Cross-validated computational properties for Bi1Mg1Pd2, 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 Bi1Mg1Pd2, 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 | 0.35 | 1.9544 | -2.539 | 0.77 |
| Cm (No. 8) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Bi1Mg1Pd2 is used.
Frequently Asked Questions
Common questions about Bi1Mg1Pd2, answered from cross-validated data.
What is Bi1Mg1Pd2?
Bi1Mg1Pd2 is a semiconducting ternary alloy composed of bismuth, magnesium, and palladium that is primarily studied in the context of advanced catalyst development.
What is Bi1Mg1Pd2 used for?
What is the band gap of Bi1Mg1Pd2?
Is Bi1Mg1Pd2 a metal, semiconductor, or insulator?
Is Bi1Mg1Pd2 thermodynamically stable?
What is the crystal structure of Bi1Mg1Pd2?
What is the density of Bi1Mg1Pd2?
How many polymorphs of Bi1Mg1Pd2 are known?
What elements does Bi1Mg1Pd2 contain?
Where does the data for Bi1Mg1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Bi1Mg1Pd2 occupies a unique niche compared to more stable, metallic counterparts like BaPd or GeRu. Unlike these more robust members of the class, Bi1Mg1Pd2 exhibits semiconducting properties and thermodynamic instability, reflecting the complex interplay between bismuth, magnesium, and palladium in forming non-traditional alloy frameworks.
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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