Mg1Pd2Si1
Mg1Pd2Si1 is a semiconducting ternary alloy containing magnesium, palladium, and silicon that is primarily studied for its structural complexity within the platinum-group catalyst family.
About Mg1Pd2Si1
Mg1Pd2Si1 is a ternary intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a complex structural arrangement involving magnesium, palladium, and silicon atoms. Its existence in a significant number of reported structures highlights the structural diversity present in this specific chemical system. Although it is currently considered thermodynamically unstable relative to the ground state, its unique composition makes it a subject of interest for fundamental materials research. The interplay between the noble metal palladium and the lighter elements suggests potential for tuning electronic properties in catalytic environments.
Key Properties
Cross-validated computational properties for Mg1Pd2Si1, 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 Mg1Pd2Si1, 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 | 0.95 | 1.9215 | -3.055 | 0.51 |
| Immm (No. 71) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Mg1Pd2Si1 is used.
Frequently Asked Questions
Common questions about Mg1Pd2Si1, answered from cross-validated data.
What is Mg1Pd2Si1?
Mg1Pd2Si1 is a semiconducting ternary alloy containing magnesium, palladium, and silicon that is primarily studied for its structural complexity within the platinum-group catalyst family.
What is Mg1Pd2Si1 used for?
What is the band gap of Mg1Pd2Si1?
Is Mg1Pd2Si1 a metal, semiconductor, or insulator?
Is Mg1Pd2Si1 thermodynamically stable?
What is the crystal structure of Mg1Pd2Si1?
What is the density of Mg1Pd2Si1?
How many polymorphs of Mg1Pd2Si1 are known?
What elements does Mg1Pd2Si1 contain?
Where does the data for Mg1Pd2Si1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader family of platinum-group alloys, Mg1Pd2Si1 occupies a distinct niche compared to more stable or binary-focused members like P3Ru or BaPd. While many of its siblings in the class exhibit metallic behavior, the semiconducting nature of this compound sets it apart, offering a different pathway for charge carrier manipulation in catalytic processes compared to the conventional metallic catalysts like IrSe2 or Ga2Ru.
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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