Li1Pt2Ta1
Li1Pt2Ta1 is a semiconducting ternary alloy containing lithium, platinum, and tantalum that is currently being studied for its unique structural and electronic properties.
About Li1Pt2Ta1
Li1Pt2Ta1 is a complex ternary intermetallic compound categorized within the platinum-group alloy catalyst class. It exhibits semiconducting electronic properties, distinguishing it from the typically metallic nature of many related platinum-based alloys. Its structural diversity is highlighted by numerous reported configurations, reflecting the intricate bonding environment between lithium, platinum, and tantalum.
While this compound is currently identified as being above the thermodynamic hull, it remains a subject of interest for researchers investigating metastable phases in catalysis. Its unique composition offers a distinct platform for exploring how light alkali metals can modify the electronic structure of heavy transition metal frameworks.
Key Properties
Cross-validated computational properties for Li1Pt2Ta1, 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 Li1Pt2Ta1, 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 | 0.36 | 2.6288 | -4.472 | 1.00 |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Li1Pt2Ta1 is used.
Frequently Asked Questions
Common questions about Li1Pt2Ta1, answered from cross-validated data.
What is Li1Pt2Ta1?
Li1Pt2Ta1 is a semiconducting ternary alloy containing lithium, platinum, and tantalum that is currently being studied for its unique structural and electronic properties.
What is Li1Pt2Ta1 used for?
What is the band gap of Li1Pt2Ta1?
Is Li1Pt2Ta1 a metal, semiconductor, or insulator?
Is Li1Pt2Ta1 thermodynamically stable?
What is the crystal structure of Li1Pt2Ta1?
What is the density of Li1Pt2Ta1?
How many polymorphs of Li1Pt2Ta1 are known?
What elements does Li1Pt2Ta1 contain?
Where does the data for Li1Pt2Ta1 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 As2Pt or Ga2Ru, Li1Pt2Ta1 occupies a metastable region of the phase diagram. While siblings like As2Ir or P3Ru are often studied for their robust catalytic performance, Li1Pt2Ta1 represents a more exotic, potentially transient experimental phase that challenges standard synthesis routes.
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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