LaSi2
LaSi2 is a thermodynamically stable metallic silicide utilized in the development of advanced silicon-based anode materials for battery technology.
About LaSi2
LaSi2 is a metallic lanthanum silicide that occupies a stable position on the convex hull, indicating significant structural robustness. Its metallic electronic character distinguishes it from many semiconducting silicides, making it an intriguing candidate for specialized electrochemical applications.
As a member of the silicon anode materials class, this compound is studied for its potential to improve the structural integrity of battery electrodes. Its stability and unique electronic properties provide a foundation for understanding how rare-earth elements can modify the performance of silicon-based energy storage systems.
Key Properties
Cross-validated computational properties for LaSi2, 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.
Reported Structures
Lowest-energy structures reported for LaSi2, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0000 | -16.472 | 4.94 |
| I41/amd (No. 141) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.96 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.53 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.81 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 3.49 |
| I41/amd (No. 141) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.87 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.68 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.91 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.00 |
Applications
Where LaSi2 is used.
Frequently Asked Questions
Common questions about LaSi2, answered from cross-validated data.
What is LaSi2?
LaSi2 is a thermodynamically stable metallic silicide utilized in the development of advanced silicon-based anode materials for battery technology.
What is LaSi2 used for?
What is the band gap of LaSi2?
Is LaSi2 a metal, semiconductor, or insulator?
Is LaSi2 thermodynamically stable?
What is the crystal structure of LaSi2?
What is the density of LaSi2?
How many polymorphs of LaSi2 are known?
What elements does LaSi2 contain?
Where does the data for LaSi2 come from?
How It Compares
Within the silicon anode materials class.
Unlike the semiconducting or insulating variants in the silicon anode class such as BaSi2 or pure Si, LaSi2 exhibits distinct metallic behavior that influences its charge transport characteristics. While compounds like Mg2Si are frequently explored for their specific alloying behaviors, LaSi2 stands out for its high thermodynamic stability, offering a different pathway for stabilizing silicon-based architectures during cycling.
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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