LiPt2
LiPt2 is a metastable, metallic intermetallic compound composed of lithium and platinum, primarily studied for its potential as a specialized catalyst.
About LiPt2
LiPt2 is a metallic intermetallic compound belonging to the class of platinum-group alloy catalysts. As a metastable phase, it represents a specialized structural configuration within the lithium-platinum binary system, characterized by high structural complexity and significant interest in materials science research. Its metallic nature suggests potential utility in electrochemical processes where high conductivity is required for catalytic efficiency. The compound is frequently studied for its unique atomic arrangement, which distinguishes it from more common, highly stable alloy phases. Its role in the broader family of platinum-group materials is defined by its specific stoichiometry and the distinct electronic environment created by the lithium-platinum interaction.
Key Properties
Cross-validated computational properties for LiPt2, aggregated across 4 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 LiPt2. 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 LiPt2, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.0433 | -35.617 | 13.14 |
| P1 (No. 1) | Triclinic | — | — | — | 9.62 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 13.21 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 12.46 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 13.58 |
| C2/m (No. 12) | Monoclinic | — | — | — | 12.51 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 12.45 |
| P1 (No. 1) | Triclinic | — | — | — | 13.21 |
| Fd-3m (No. 227) | Cubic | — | — | — | 12.75 |
| Fd-3m (No. 227) | Cubic | — | — | — | 13.61 |
| Fd-3m (No. 227) | Cubic | — | — | — | 13.13 |
| Fd-3m (No. 227) | — | — | — | — | — |
Applications
Where LiPt2 is used.
Frequently Asked Questions
Common questions about LiPt2, answered from cross-validated data.
What is LiPt2?
LiPt2 is a metastable, metallic intermetallic compound composed of lithium and platinum, primarily studied for its potential as a specialized catalyst.
What is LiPt2 used for?
What is the band gap of LiPt2?
Is LiPt2 a metal, semiconductor, or insulator?
Is LiPt2 thermodynamically stable?
What is the crystal structure of LiPt2?
What is the density of LiPt2?
How many polymorphs of LiPt2 are known?
What elements does LiPt2 contain?
Where does the data for LiPt2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, LiPt2 occupies a niche position compared to more stable or common phases like GeRu or As2Pt. While many members of this class are valued for their robust thermodynamic stability in harsh catalytic environments, LiPt2 is notable for its metastable nature, which often provides unique surface reactivity profiles that are inaccessible to more conventional, highly stable intermetallics.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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