Li3Mg5
Li3Mg5 is a metastable metallic alloy formed from lithium and magnesium.
About Li3Mg5
Li3Mg5 is a metallic intermetallic compound composed of lithium and magnesium. As a metastable phase, it represents a specific configuration of these light metal elements that exists within a complex landscape of potential structural arrangements.
Its metallic nature suggests high electrical and thermal conductivity typical of alkali and alkaline earth alloys. The existence of multiple reported structures across various databases highlights the intricate phase behavior of the lithium-magnesium system, making it a subject of interest for fundamental alloy research.
Key Properties
Cross-validated computational properties for Li3Mg5, 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 Li3Mg5, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0268 | -3.529 | 1.40 |
| Im-3m (No. 229) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 1.38 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 1.39 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 1.40 |
| Cmmm (No. 65) | — | — | — | — | — |
| — | — | — | — | — | 1.39 |
Applications
Where Li3Mg5 is used.
Frequently Asked Questions
Common questions about Li3Mg5, answered from cross-validated data.
What is Li3Mg5?
Li3Mg5 is a metastable metallic alloy formed from lithium and magnesium.
What is Li3Mg5 used for?
What is the band gap of Li3Mg5?
Is Li3Mg5 a metal, semiconductor, or insulator?
Is Li3Mg5 thermodynamically stable?
What is the crystal structure of Li3Mg5?
What is the density of Li3Mg5?
How many polymorphs of Li3Mg5 are known?
What elements does Li3Mg5 contain?
Where does the data for Li3Mg5 come from?
How It Compares
As a metastable intermetallic compound, Li3Mg5 serves as a distinct example of the diverse structural possibilities found within the lithium-magnesium binary system, where specific composition ratios dictate unique crystalline arrangements that differ from the standard solid solutions.
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.
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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