Li1P1Pd2
Li1P1Pd2 is a semiconducting ternary alloy composed of lithium, phosphorus, and palladium used in advanced materials research.
About Li1P1Pd2
Li1P1Pd2 is a unique semiconducting compound within the platinum-group alloy catalyst class. Its composition of lithium, phosphorus, and palladium suggests a complex electronic structure that differentiates it from typical metallic catalysts. While it exhibits a range of structural variations, its thermodynamic profile indicates it is metastable, positioning it as a subject of interest for fundamental materials research. The material is primarily investigated for its potential in specialized catalytic applications where semiconductor properties are advantageous. Its existence within a large database of reported structures highlights its relevance in the ongoing study of ternary metal-phosphide systems.
Key Properties
Cross-validated computational properties for Li1P1Pd2, 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 Li1P1Pd2, 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 | 0.21 | 2.0194 | -2.953 | 0.55 |
| Pm (No. 6) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Li1P1Pd2 is used.
Frequently Asked Questions
Common questions about Li1P1Pd2, answered from cross-validated data.
What is Li1P1Pd2?
Li1P1Pd2 is a semiconducting ternary alloy composed of lithium, phosphorus, and palladium used in advanced materials research.
What is Li1P1Pd2 used for?
What is the band gap of Li1P1Pd2?
Is Li1P1Pd2 a metal, semiconductor, or insulator?
Is Li1P1Pd2 thermodynamically stable?
What is the crystal structure of Li1P1Pd2?
What is the density of Li1P1Pd2?
How many polymorphs of Li1P1Pd2 are known?
What elements does Li1P1Pd2 contain?
Where does the data for Li1P1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more robust and stable members of the platinum-group alloy class such as As2Pt or GeRu, Li1P1Pd2 is characterized by its metastable nature. While many of its siblings serve as highly stable, conventional metallic catalysts, this compound offers a distinct semiconducting electronic character that sets it apart from the more common, highly stable intermetallic phases found in this group.
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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