LiNaSi2
LiNaSi2 is a semiconducting ternary silicide compound that is theoretically predicted to be stable enough for laboratory synthesis.
About LiNaSi2
LiNaSi2 is a ternary silicide phase composed of lithium, sodium, and silicon. Its electronic character as a semiconductor makes it an interesting subject for materials research, particularly in the development of novel electronic components where specific charge transport properties are required.
As a near-hull material, LiNaSi2 is theoretically predicted to be stable enough for experimental synthesis. The existence of multiple reported structures across databases suggests that this compound can adopt different configurations, providing a versatile platform for exploring the relationship between atomic arrangement and physical properties.
Key Properties
Cross-validated computational properties for LiNaSi2, aggregated across 3 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 LiNaSi2, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.12 | 0.0216 | -4.045 | 2.02 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 2.07 |
Applications
Where LiNaSi2 is used.
Frequently Asked Questions
Common questions about LiNaSi2, answered from cross-validated data.
What is LiNaSi2?
LiNaSi2 is a semiconducting ternary silicide compound that is theoretically predicted to be stable enough for laboratory synthesis.
What is LiNaSi2 used for?
What is the band gap of LiNaSi2?
Is LiNaSi2 a metal, semiconductor, or insulator?
Is LiNaSi2 thermodynamically stable?
What is the crystal structure of LiNaSi2?
What is the density of LiNaSi2?
How many polymorphs of LiNaSi2 are known?
What elements does LiNaSi2 contain?
Where does the data for LiNaSi2 come from?
How It Compares
As a ternary silicide with semiconducting properties, LiNaSi2 occupies a unique niche in materials science. While many silicides are metallic, this compound's semiconducting nature distinguishes it as a potential functional material for specialized solid-state devices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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