Li2MgAg
Li2MgAg is a semiconducting ternary intermetallic compound that is considered likely to be synthesizable due to its favorable thermodynamic stability.
About Li2MgAg
Li2MgAg is a semiconducting ternary intermetallic compound composed of lithium, magnesium, and silver. Its electronic character and proximity to the thermodynamic stability hull suggest it is a viable candidate for experimental synthesis and structural characterization.
As a material with multiple documented structural phases, it serves as an intriguing subject for solid-state chemistry studies. Its unique arrangement of light and heavy elements provides a platform for investigating how atomic composition influences electronic properties in complex intermetallic systems.
Key Properties
Cross-validated computational properties for Li2MgAg, 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 Li2MgAg, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.00 | 0.0022 | -2.247 | 3.38 |
| Immm (No. 71) | orthorhombic | 0.48 | 1.1182 | -1.131 | 0.25 |
| Immm (No. 71) | — | — | — | — | — |
| F-43m (No. 216) | Cubic | — | — | — | 3.38 |
| F-43m (No. 216) | Cubic | — | — | — | 3.48 |
| F-43m (No. 216) | Cubic | — | — | — | 3.44 |
| No. 0 | unknown | — | — | — | 0.84 |
Applications
Where Li2MgAg is used.
Frequently Asked Questions
Common questions about Li2MgAg, answered from cross-validated data.
What is Li2MgAg?
Li2MgAg is a semiconducting ternary intermetallic compound that is considered likely to be synthesizable due to its favorable thermodynamic stability.
What is Li2MgAg used for?
What is the band gap of Li2MgAg?
Is Li2MgAg a metal, semiconductor, or insulator?
Is Li2MgAg thermodynamically stable?
What is the crystal structure of Li2MgAg?
What is the density of Li2MgAg?
How many polymorphs of Li2MgAg are known?
What elements does Li2MgAg contain?
Where does the data for Li2MgAg come from?
How It Compares
As a standalone entry in this specific compositional space, Li2MgAg represents a distinct structural configuration that highlights the variability of ternary lithium-based intermetallics. Its existence near the stability limit suggests it occupies a critical niche where subtle changes in synthesis conditions could dictate its final crystalline form.
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.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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