Au2Li1Ti1
Au2Li1Ti1 is a semiconducting ternary compound of gold, lithium, and titanium that exists in a metastable state.
About Au2Li1Ti1
Au2Li1Ti1 is a complex ternary compound composed of gold, lithium, and titanium. As a semiconducting material, it represents a unique intersection of noble metal and reactive alkali metal chemistry, drawing interest from researchers investigating novel electronic configurations in multi-element systems.
Despite its existence in multiple structural configurations, the compound is characterized as being thermodynamically above the hull. This suggests that while it can be synthesized or modeled in various arrangements, it remains a metastable phase that requires specific conditions to maintain its structural integrity.
Key Properties
Cross-validated computational properties for Au2Li1Ti1, 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 Au2Li1Ti1, 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 | 0.25 | 1.7810 | -27.862 | 0.89 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Applications
Where Au2Li1Ti1 is used.
Frequently Asked Questions
Common questions about Au2Li1Ti1, answered from cross-validated data.
What is Au2Li1Ti1?
Au2Li1Ti1 is a semiconducting ternary compound of gold, lithium, and titanium that exists in a metastable state.
What is Au2Li1Ti1 used for?
What is the band gap of Au2Li1Ti1?
Is Au2Li1Ti1 a metal, semiconductor, or insulator?
Is Au2Li1Ti1 thermodynamically stable?
What is the crystal structure of Au2Li1Ti1?
What is the density of Au2Li1Ti1?
How many polymorphs of Au2Li1Ti1 are known?
What elements does Au2Li1Ti1 contain?
Where does the data for Au2Li1Ti1 come from?
How It Compares
As a unique ternary phase, Au2Li1Ti1 represents an exploratory entry in the landscape of gold-based intermetallic compounds. Unlike more common, thermodynamically stable alloys, this material serves as a case study in how complex elemental combinations can result in semiconducting behavior even when the compound itself resides in a metastable state.
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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