Li1Pt2Sn1
Li1Pt2Sn1 is a semiconducting ternary alloy composed of lithium, platinum, and tin that is of interest for its potential catalytic applications.
About Li1Pt2Sn1
Li1Pt2Sn1 is a specialized semiconducting alloy within the platinum-group catalyst family. Its unique electronic configuration and near-hull thermodynamic stability suggest it is a viable candidate for synthesis and further experimental investigation in materials science.
As a member of this diverse class of alloys, it serves as a platform for studying how lithium incorporation modifies the catalytic behavior of platinum-tin systems. Its structural data richness highlights its significance for researchers exploring new pathways in heterogeneous catalysis.
Key Properties
Cross-validated computational properties for Li1Pt2Sn1, 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 Li1Pt2Sn1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0014 | -5.104 | 13.66 |
| Immm (No. 71) | orthorhombic | 0.16 | 2.0687 | -3.036 | 1.00 |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
Applications
Where Li1Pt2Sn1 is used.
Frequently Asked Questions
Common questions about Li1Pt2Sn1, answered from cross-validated data.
What is Li1Pt2Sn1?
Li1Pt2Sn1 is a semiconducting ternary alloy composed of lithium, platinum, and tin that is of interest for its potential catalytic applications.
What is Li1Pt2Sn1 used for?
What is the band gap of Li1Pt2Sn1?
Is Li1Pt2Sn1 a metal, semiconductor, or insulator?
Is Li1Pt2Sn1 thermodynamically stable?
What is the crystal structure of Li1Pt2Sn1?
What is the density of Li1Pt2Sn1?
How many polymorphs of Li1Pt2Sn1 are known?
What elements does Li1Pt2Sn1 contain?
Where does the data for Li1Pt2Sn1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more common binary platinum-group compounds such as As2Pt or GeRu, Li1Pt2Sn1 incorporates lithium to achieve its semiconducting character. While many class members like LaRh or BaPd focus on specific metallic or intermetallic properties, this ternary alloy leverages its distinct stoichiometry to occupy a unique niche in the stability landscape.
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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