Li2O4Tl2
Li2O4Tl2 is a semiconducting ternary lithium oxide compound that is considered a promising candidate for experimental synthesis.
About Li2O4Tl2
Li2O4Tl2 is a complex lithium oxide featuring thallium within its crystal lattice. As a semiconducting material, it represents a unique intersection of alkali metal chemistry and heavy-metal coordination, offering distinct electronic properties compared to simpler binary oxides. Its classification as a near-hull phase suggests it is a viable candidate for experimental synthesis and structural characterization. This compound is of significant interest to materials scientists investigating the structural diversity of ternary lithium-based systems. By bridging the gap between traditional lithium-ion battery materials and specialized semiconducting oxides, it provides a platform for exploring novel electronic behaviors in complex oxide frameworks.
Key Properties
Cross-validated computational properties for Li2O4Tl2, 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.
Reported Structures
Lowest-energy structures reported for Li2O4Tl2, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 0.40 | 0.0234 | -5.003 | 8.08 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0687 | -4.958 | 8.21 |
| — | — | — | — | — | 7.69 |
| I41/amd (No. 141) | — | — | — | — | — |
Applications
Where Li2O4Tl2 is used.
Frequently Asked Questions
Common questions about Li2O4Tl2, answered from cross-validated data.
What is Li2O4Tl2?
Li2O4Tl2 is a semiconducting ternary lithium oxide compound that is considered a promising candidate for experimental synthesis.
What is Li2O4Tl2 used for?
What is the band gap of Li2O4Tl2?
Is Li2O4Tl2 a metal, semiconductor, or insulator?
Is Li2O4Tl2 thermodynamically stable?
What is the crystal structure of Li2O4Tl2?
What is the density of Li2O4Tl2?
How many polymorphs of Li2O4Tl2 are known?
What elements does Li2O4Tl2 contain?
Where does the data for Li2O4Tl2 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials LiCoO2 and LiMn2O4, which are characterized by their robust electrochemical performance in energy storage, Li2O4Tl2 occupies a more specialized niche within the lithium oxide class. While siblings like Li2TiO3 and Li2MnO3 are frequently studied for their structural stability and ion-transport capabilities, Li2O4Tl2 introduces heavy-element character that differentiates its electronic profile from the transition-metal-heavy members of the family.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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