As1Mg1Pd2
As1Mg1Pd2 is a semiconducting ternary alloy containing palladium, magnesium, and arsenic that is studied for its unique electronic properties in catalytic research.
About As1Mg1Pd2
As1Mg1Pd2 is a specialized ternary compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a unique intersection of noble metal chemistry and main-group elements, offering a distinct electronic environment for potential surface interactions.
While the compound exhibits a complex structural landscape with numerous reported configurations, it is noted for being thermodynamically metastable. This positioning above the hull suggests that while it may be challenging to synthesize in a bulk stable form, it remains an intriguing subject for investigating metastable phases in catalytic science.
Key Properties
Cross-validated computational properties for As1Mg1Pd2, 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 As1Mg1Pd2, 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 | 0.42 | 1.9194 | -2.780 | 0.61 |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where As1Mg1Pd2 is used.
Frequently Asked Questions
Common questions about As1Mg1Pd2, answered from cross-validated data.
What is As1Mg1Pd2?
As1Mg1Pd2 is a semiconducting ternary alloy containing palladium, magnesium, and arsenic that is studied for its unique electronic properties in catalytic research.
What is As1Mg1Pd2 used for?
What is the band gap of As1Mg1Pd2?
Is As1Mg1Pd2 a metal, semiconductor, or insulator?
Is As1Mg1Pd2 thermodynamically stable?
What is the crystal structure of As1Mg1Pd2?
What is the density of As1Mg1Pd2?
How many polymorphs of As1Mg1Pd2 are known?
What elements does As1Mg1Pd2 contain?
Where does the data for As1Mg1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, As1Mg1Pd2 occupies a distinct niche compared to more stable, highly studied counterparts like As2Pt. While many members of this class are optimized for robust industrial performance, As1Mg1Pd2 is distinguished by its specific semiconducting behavior and its status as a metastable phase, contrasting with the more conventional metallic or stable intermetallic nature of siblings like BaPd or LaRh.
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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