LiMg2Si
LiMg2Si is a metastable metallic ternary compound composed of lithium, magnesium, and silicon that has been extensively characterized across multiple structural databases.
About LiMg2Si
LiMg2Si is a ternary intermetallic compound composed of lithium, magnesium, and silicon. As a metallic system lacking a band gap, it exhibits conductive electronic behavior characteristic of its constituent elements. Its status as a metastable phase makes it an intriguing subject for studies into structural phase transitions and synthesis pathways under varying conditions. The material has been extensively documented, with numerous structural configurations identified across multiple crystallographic databases. This high level of data richness suggests that while it may not be the most stable configuration, it represents a significant point of interest for researchers mapping the complex landscape of ternary lithium-based alloys.
Key Properties
Cross-validated computational properties for LiMg2Si, 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.
Reported Structures
Lowest-energy structures reported for LiMg2Si, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0332 | -2.908 | 1.71 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0742 | -2.813 | 1.79 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.1360 | -2.664 | 1.91 |
| — | — | — | — | — | 1.82 |
| — | — | — | — | — | 1.90 |
| — | — | — | — | — | 1.92 |
| Fm-3m (No. 225) | Cubic | — | — | — | 1.91 |
| Fm-3m (No. 225) | Cubic | — | — | — | 1.96 |
| — | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 1.95 |
Applications
Where LiMg2Si is used.
Frequently Asked Questions
Common questions about LiMg2Si, answered from cross-validated data.
What is LiMg2Si?
LiMg2Si is a metastable metallic ternary compound composed of lithium, magnesium, and silicon that has been extensively characterized across multiple structural databases.
What is LiMg2Si used for?
What is the band gap of LiMg2Si?
Is LiMg2Si a metal, semiconductor, or insulator?
Is LiMg2Si thermodynamically stable?
What is the crystal structure of LiMg2Si?
What is the density of LiMg2Si?
How many polymorphs of LiMg2Si are known?
What elements does LiMg2Si contain?
Where does the data for LiMg2Si come from?
How It Compares
As a metastable metallic phase, LiMg2Si occupies a distinct niche in the study of ternary lithium-magnesium-silicon systems. Without a singular stable ground state, its structural diversity highlights the sensitivity of these alloys to processing conditions, serving as a key reference point for understanding the broader energetic landscape of light metal silicides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- alexandria — Data from alexandria.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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