Ge1Mg1Pd2
Ge1Mg1Pd2 is a semiconducting ternary intermetallic compound used in the study of platinum-group alloy catalysts.
About Ge1Mg1Pd2
Ge1Mg1Pd2 is a semiconducting intermetallic compound belonging to the class of platinum-group alloy catalysts. Its electronic structure and thermodynamic stability suggest it is a viable candidate for synthesis and further experimental investigation in catalysis.
This material is significant for its potential role in surface-mediated chemical transformations. As a near-hull phase, it occupies a strategic position in the phase space of palladium-based alloys, offering a unique electronic environment for catalytic applications.
Key Properties
Cross-validated computational properties for Ge1Mg1Pd2, 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 Ge1Mg1Pd2, 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 | 0.0177 | -4.730 | 8.50 |
| Immm (No. 71) | orthorhombic | 0.88 | 1.8661 | -2.881 | 0.60 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Applications
Where Ge1Mg1Pd2 is used.
Frequently Asked Questions
Common questions about Ge1Mg1Pd2, answered from cross-validated data.
What is Ge1Mg1Pd2?
Ge1Mg1Pd2 is a semiconducting ternary intermetallic compound used in the study of platinum-group alloy catalysts.
What is Ge1Mg1Pd2 used for?
What is the band gap of Ge1Mg1Pd2?
Is Ge1Mg1Pd2 a metal, semiconductor, or insulator?
Is Ge1Mg1Pd2 thermodynamically stable?
What is the crystal structure of Ge1Mg1Pd2?
What is the density of Ge1Mg1Pd2?
How many polymorphs of Ge1Mg1Pd2 are known?
What elements does Ge1Mg1Pd2 contain?
Where does the data for Ge1Mg1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Ge1Mg1Pd2 distinguishes itself from more common binary phases like BaPd or GeRu by incorporating a magnesium component to tune its semiconducting behavior. While compounds such as As2Pt and As2Ir are often studied for their structural complexity, Ge1Mg1Pd2 provides a distinct ternary platform that bridges the gap between simple binary catalysts and more complex multicomponent systems.
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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