Al2Pt1Tc1
Al2Pt1Tc1 is a semiconducting ternary alloy composed of aluminum, platinum, and technetium that serves as a subject of study in catalytic materials science.
About Al2Pt1Tc1
Al2Pt1Tc1 is a complex ternary alloy belonging to the platinum-group catalyst class. Characterized by its semiconducting electronic behavior, this material represents an intriguing intersection of transition metals and aluminum, offering unique coordination environments for catalytic research.
Despite its existence within a large pool of reported structural configurations, the compound is noted for being above the thermodynamic hull. This suggests that while it can be synthesized or modeled, it remains a metastable phase that provides valuable insights into the stability limits of platinum-group alloy systems.
Key Properties
Cross-validated computational properties for Al2Pt1Tc1, 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 Al2Pt1Tc1, 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 | 0.81 | 2.9121 | -20.682 | 0.81 |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Al2Pt1Tc1 is used.
Frequently Asked Questions
Common questions about Al2Pt1Tc1, answered from cross-validated data.
What is Al2Pt1Tc1?
Al2Pt1Tc1 is a semiconducting ternary alloy composed of aluminum, platinum, and technetium that serves as a subject of study in catalytic materials science.
What is Al2Pt1Tc1 used for?
What is the band gap of Al2Pt1Tc1?
Is Al2Pt1Tc1 a metal, semiconductor, or insulator?
Is Al2Pt1Tc1 thermodynamically stable?
What is the crystal structure of Al2Pt1Tc1?
What is the density of Al2Pt1Tc1?
How many polymorphs of Al2Pt1Tc1 are known?
What elements does Al2Pt1Tc1 contain?
Where does the data for Al2Pt1Tc1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys like As2Pt and Ga2Ru, Al2Pt1Tc1 is distinguished by its specific stoichiometry and semiconducting nature. Unlike the more stable or common binary phases such as BaPd or LaRh, this ternary compound occupies a more precarious thermodynamic state, highlighting the structural complexity that arises when incorporating technetium into aluminum-platinum frameworks.
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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