AuLi2Mg
AuLi2Mg is a semiconducting ternary intermetallic compound that is considered likely to be synthesizable due to its near-hull thermodynamic stability.
About AuLi2Mg
AuLi2Mg is a ternary intermetallic compound characterized by its semiconducting electronic nature. Its structural arrangement suggests a distinct interplay between gold, lithium, and magnesium, positioning it as a material of interest for researchers investigating complex metallic systems.
As a near-hull stable phase, this compound is considered a promising candidate for experimental synthesis. The existence of multiple reported structures across databases highlights its structural versatility and potential for further exploration in materials science research.
Key Properties
Cross-validated computational properties for AuLi2Mg, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AuLi2Mg. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for AuLi2Mg, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for AuLi2Mg, 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 | 0.0030 | -2.612 | 5.98 |
| Immm (No. 71) | orthorhombic | 0.64 | 1.1663 | -1.448 | 0.43 |
| P4mm (No. 99) | tetragonal | — | — | 0.000 | — |
| Fm-3m (No. 225) | cubic | — | — | — | 5.84 |
Applications
Where AuLi2Mg is used.
Frequently Asked Questions
Common questions about AuLi2Mg, answered from cross-validated data.
What is AuLi2Mg?
AuLi2Mg is a semiconducting ternary intermetallic compound that is considered likely to be synthesizable due to its near-hull thermodynamic stability.
What is AuLi2Mg used for?
What is the band gap of AuLi2Mg?
Is AuLi2Mg a metal, semiconductor, or insulator?
Is AuLi2Mg thermodynamically stable?
What is the crystal structure of AuLi2Mg?
What is the density of AuLi2Mg?
How many polymorphs of AuLi2Mg are known?
What elements does AuLi2Mg contain?
Where does the data for AuLi2Mg come from?
How It Compares
As a unique ternary intermetallic phase, AuLi2Mg occupies a specialized niche in materials science where the combination of noble metal and light alkali elements creates distinct electronic properties that differentiate it from simpler binary alloy systems.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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