YGaPd2
YGaPd2 is a thermodynamically stable, semiconducting intermetallic alloy containing yttrium, gallium, and palladium.
About YGaPd2
YGaPd2 is a thermodynamically stable intermetallic compound within the platinum-group alloy class. Its semiconducting electronic character distinguishes it from many metallic counterparts, marking it as a unique candidate for fundamental materials research.
This material maintains a robust position on the convex hull, indicating high thermodynamic stability. Its structural diversity is well-documented across multiple databases, providing a reliable foundation for exploring its potential in advanced catalytic applications.
Key Properties
Cross-validated computational properties for YGaPd2, 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 YGaPd2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -5.862 | 8.46 |
| Immm (No. 71) | orthorhombic | 0.23 | 2.1581 | -3.703 | 0.64 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 8.25 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 8.67 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 8.47 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where YGaPd2 is used.
Frequently Asked Questions
Common questions about YGaPd2, answered from cross-validated data.
What is YGaPd2?
YGaPd2 is a thermodynamically stable, semiconducting intermetallic alloy containing yttrium, gallium, and palladium.
What is YGaPd2 used for?
What is the band gap of YGaPd2?
Is YGaPd2 a metal, semiconductor, or insulator?
Is YGaPd2 thermodynamically stable?
What is the crystal structure of YGaPd2?
What is the density of YGaPd2?
How many polymorphs of YGaPd2 are known?
What elements does YGaPd2 contain?
Where does the data for YGaPd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many metallic members of the platinum-group alloy class such as BaPd or LaRh, YGaPd2 exhibits distinct semiconducting behavior. While siblings like As2Ir or Ga2Ru often prioritize metallic conductivity for traditional catalysis, YGaPd2 offers a different electronic profile that may enable unique surface interactions in specialized chemical processes.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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