LiPt
LiPt is a thermodynamically stable metallic alloy composed of lithium and platinum that serves as a key subject in the study of platinum-group catalysts.
About LiPt
LiPt is a distinct member of the platinum-group alloy catalysts, characterized by a robust metallic electronic structure. As a thermodynamically stable phase residing on the convex hull, it represents a highly favorable configuration of lithium and platinum atoms.
Its structural landscape is exceptionally well-documented, with numerous reported configurations across major materials databases. This extensive data availability underscores its significance as a model system for studying the interplay between alkali metals and noble metals in catalytic environments.
Key Properties
Cross-validated computational properties for LiPt, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LiPt. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for LiPt, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.619 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0000 | -0.653 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0000 | -27.592 | 12.32 |
| — | — | 0.00 | 0.0007 | -0.619 | — |
| — | — | 0.00 | 0.1283 | -0.491 | — |
| — | — | 0.00 | 0.2284 | -0.391 | — |
| — | — | 0.00 | 0.7230 | 0.104 | — |
| — | — | 0.00 | 1.4514 | 0.832 | — |
| P-1 (No. 2) | triclinic | — | — | — | 10.98 |
| P-1 (No. 2) | triclinic | — | — | — | 11.67 |
| P-1 (No. 2) | triclinic | — | — | — | 5.56 |
| P-1 (No. 2) | triclinic | — | — | — | 12.67 |
Applications
Where LiPt is used.
Frequently Asked Questions
Common questions about LiPt, answered from cross-validated data.
What is LiPt?
LiPt is a thermodynamically stable metallic alloy composed of lithium and platinum that serves as a key subject in the study of platinum-group catalysts.
What is LiPt used for?
What is the band gap of LiPt?
Is LiPt a metal, semiconductor, or insulator?
Is LiPt thermodynamically stable?
What is the crystal structure of LiPt?
How many polymorphs of LiPt are known?
What elements does LiPt contain?
Where does the data for LiPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more complex intermetallic compounds such as As2Pt or IrSe2 which often feature diverse polyanionic networks, LiPt exhibits a simpler, highly stable metallic framework. While many members of this class are explored for their specific coordination geometries, LiPt stands out due to its thermodynamic stability and the fundamental nature of its binary composition.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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