Li2Mg
Li2Mg is a metallic intermetallic compound formed from lithium and magnesium that is considered a viable candidate for experimental synthesis.
About Li2Mg
Li2Mg is a metallic intermetallic compound composed of lithium and magnesium. Its electronic structure is characterized by metallic bonding, reflecting the typical behavior of light alkali and alkaline earth metal alloys.
As a near-hull phase, this compound is considered thermodynamically accessible for synthesis. With a significant number of reported structures across multiple databases, it stands as a well-documented subject for researchers investigating lightweight alloy systems.
Key Properties
Cross-validated computational properties for Li2Mg, 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 Li2Mg, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.00 | 0.0031 | -3.013 | 1.05 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0048 | -3.011 | 1.06 |
| R32 (No. 155) | trigonal | 0.00 | 0.0076 | -3.008 | 1.03 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0078 | -3.008 | 1.03 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0105 | -3.005 | 1.05 |
| P-62m (No. 189) | hexagonal | 0.00 | 0.0106 | -3.005 | 1.03 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0107 | -3.005 | 1.03 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0110 | -3.005 | 1.04 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0114 | -3.004 | 1.02 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0178 | -2.998 | 1.02 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0196 | -2.996 | 1.00 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0271 | -2.989 | 1.00 |
Applications
Where Li2Mg is used.
Frequently Asked Questions
Common questions about Li2Mg, answered from cross-validated data.
What is Li2Mg?
Li2Mg is a metallic intermetallic compound formed from lithium and magnesium that is considered a viable candidate for experimental synthesis.
What is Li2Mg used for?
What is the band gap of Li2Mg?
Is Li2Mg a metal, semiconductor, or insulator?
Is Li2Mg thermodynamically stable?
What is the crystal structure of Li2Mg?
What is the density of Li2Mg?
How many polymorphs of Li2Mg are known?
What elements does Li2Mg contain?
Where does the data for Li2Mg come from?
How It Compares
As a unique intermetallic phase in the lithium-magnesium system, Li2Mg serves as a foundational example of how these two light metals interact at the atomic scale, providing a critical reference point for understanding phase stability in binary alkali-alkaline earth alloys.
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.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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