Al1Au1Li2
Al1Au1Li2 is a semiconducting ternary intermetallic compound that exhibits structural complexity and metastable thermodynamic characteristics.
About Al1Au1Li2
Al1Au1Li2 is a ternary intermetallic compound characterized by its semiconducting electronic nature. Its composition reflects a complex interplay between aluminum, gold, and lithium, positioning it as an intriguing subject for fundamental studies in solid-state chemistry.
Given its position relative to the thermodynamic hull, this material is considered metastable. The existence of numerous reported structural configurations suggests a high degree of sensitivity to synthesis conditions, making it a focal point for researchers investigating phase stability in multi-element systems.
Key Properties
Cross-validated computational properties for Al1Au1Li2, aggregated across 2 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 Al1Au1Li2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.75 | 1.3370 | -14.638 | 0.48 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Al1Au1Li2, answered from cross-validated data.
What is Al1Au1Li2?
Al1Au1Li2 is a semiconducting ternary intermetallic compound that exhibits structural complexity and metastable thermodynamic characteristics.
What is the band gap of Al1Au1Li2?
Is Al1Au1Li2 a metal, semiconductor, or insulator?
Is Al1Au1Li2 thermodynamically stable?
What is the crystal structure of Al1Au1Li2?
What is the density of Al1Au1Li2?
How many polymorphs of Al1Au1Li2 are known?
What elements does Al1Au1Li2 contain?
Where does the data for Al1Au1Li2 come from?
How It Compares
As a unique ternary phase, Al1Au1Li2 represents a specialized case within the broader landscape of aluminum-gold-lithium intermetallics. Unlike more conventional, highly stable alloys, this compound exhibits a complex structural variety that underscores the intricate bonding environments possible when combining these specific metallic elements.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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