Al2OsPd
Al2OsPd is a semiconducting intermetallic compound composed of aluminum, osmium, and palladium that is studied for its unique structural and electronic properties.
About Al2OsPd
Al2OsPd is a specialized intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a complex arrangement of aluminum, osmium, and palladium atoms that has been documented across multiple structural databases. Its existence as a distinct phase highlights the intricate bonding behaviors found in transition metal aluminides.
While its thermodynamic profile suggests it resides above the hull, indicating potential instability under standard conditions, the compound remains a subject of interest for researchers studying phase stability and catalytic potential. Its unique composition allows for the exploration of electronic properties that differ significantly from pure noble metals, providing a niche platform for materials science investigations.
Key Properties
Cross-validated computational properties for Al2OsPd, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Al2OsPd. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Al2OsPd, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0360 | -0.631 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.3192 | -0.348 | — |
| Immm (No. 71) | orthorhombic | 0.38 | 2.9530 | -20.128 | 0.52 |
| Immm (No. 71) | orthorhombic | 0.57 | 2.9532 | -20.128 | 0.79 |
| Immm (No. 71) | orthorhombic | — | — | — | 8.89 |
| Fm-3m (No. 225) | cubic | — | — | — | 10.41 |
Applications
Where Al2OsPd is used.
Frequently Asked Questions
Common questions about Al2OsPd, answered from cross-validated data.
What is Al2OsPd?
Al2OsPd is a semiconducting intermetallic compound composed of aluminum, osmium, and palladium that is studied for its unique structural and electronic properties.
What is Al2OsPd used for?
What is the band gap of Al2OsPd?
Is Al2OsPd a metal, semiconductor, or insulator?
Is Al2OsPd thermodynamically stable?
What is the crystal structure of Al2OsPd?
What is the density of Al2OsPd?
How many polymorphs of Al2OsPd are known?
What elements does Al2OsPd contain?
Where does the data for Al2OsPd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Al2OsPd occupies a distinct position compared to more stable or metallic counterparts like P3Ru or BaPd. Unlike the highly conductive or thermodynamically robust members of this class, Al2OsPd exhibits a semiconducting character that sets it apart from the typical metallic behavior expected in many platinum-group systems.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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