Al1Pd1Sc2
Al1Pd1Sc2 is a semiconducting ternary intermetallic compound composed of aluminum, palladium, and scandium.
About Al1Pd1Sc2
Al1Pd1Sc2 is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Its unique electronic character as a semiconductor distinguishes it from the typical metallic behavior often associated with palladium-based alloys, suggesting specialized potential in electronic or catalytic applications.
While this phase is identified as being above the thermodynamic hull, it remains a subject of interest in materials informatics. Its existence within a dataset of multiple reported structures highlights the ongoing exploration of ternary systems involving aluminum, palladium, and scandium for high-performance material design.
Key Properties
Cross-validated computational properties for Al1Pd1Sc2, 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 Al1Pd1Sc2, 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 | 0.13 | 2.6773 | -11.153 | 0.41 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Al1Pd1Sc2 is used.
Frequently Asked Questions
Common questions about Al1Pd1Sc2, answered from cross-validated data.
What is Al1Pd1Sc2?
Al1Pd1Sc2 is a semiconducting ternary intermetallic compound composed of aluminum, palladium, and scandium.
What is Al1Pd1Sc2 used for?
What is the band gap of Al1Pd1Sc2?
Is Al1Pd1Sc2 a metal, semiconductor, or insulator?
Is Al1Pd1Sc2 thermodynamically stable?
What is the crystal structure of Al1Pd1Sc2?
What is the density of Al1Pd1Sc2?
How many polymorphs of Al1Pd1Sc2 are known?
What elements does Al1Pd1Sc2 contain?
Where does the data for Al1Pd1Sc2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or well-characterized members of the platinum-group alloy class such as BaPd or GeRu, Al1Pd1Sc2 occupies a metastable region of the phase space. While many siblings in this group are studied for their robust catalytic activity, this compound represents a more exotic structural arrangement that challenges conventional stability trends in ternary intermetallics.
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).
Analyze Al1Pd1Sc2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →