GaMnPd2
GaMnPd2 is a semimetallic platinum-group alloy that shows promise as a stable, synthesizable catalyst for advanced chemical applications.
About GaMnPd2
GaMnPd2 is a distinctive intermetallic compound belonging to the platinum-group alloy catalyst class. Characterized by its near-zero-gap semimetallic electronic structure, this material offers unique charge carrier dynamics that are highly sought after for specialized catalytic processes. Its thermodynamic stability, positioned near the convex hull, suggests it is a viable candidate for experimental synthesis and practical integration. As a data-rich compound with multiple reported structural configurations, it represents a significant subject for researchers investigating complex metallic phases. Its role in catalytic applications is underpinned by the synergistic interaction between gallium, manganese, and palladium, which facilitates efficient chemical transformations.
Key Properties
Cross-validated computational properties for GaMnPd2, aggregated across 3 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 GaMnPd2, 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 | 0.0161 | -6.105 | 9.58 |
| P4mm (No. 99) | tetragonal | 0.00 | 0.1398 | -5.982 | 9.19 |
| Immm (No. 71) | orthorhombic | 0.01 | 2.0479 | -4.074 | 0.78 |
| F-43m (No. 216) | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where GaMnPd2 is used.
Frequently Asked Questions
Common questions about GaMnPd2, answered from cross-validated data.
What is GaMnPd2?
GaMnPd2 is a semimetallic platinum-group alloy that shows promise as a stable, synthesizable catalyst for advanced chemical applications.
What is GaMnPd2 used for?
What is the band gap of GaMnPd2?
Is GaMnPd2 a metal, semiconductor, or insulator?
Is GaMnPd2 thermodynamically stable?
What is the crystal structure of GaMnPd2?
What is the density of GaMnPd2?
How many polymorphs of GaMnPd2 are known?
What elements does GaMnPd2 contain?
Where does the data for GaMnPd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader family of platinum-group alloys, GaMnPd2 distinguishes itself through its specific electronic profile compared to siblings like BaPd or GeRu. While many members of this class exhibit diverse metallic or semiconducting behaviors, GaMnPd2 occupies a niche near-zero-gap regime that differentiates it from the more conventional structural arrangements found in compounds like As2Ir 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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
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