La2O6Tl2
La2O6Tl2 is a semiconducting ternary oxide of lanthanum and thallium that is considered thermodynamically metastable.
About La2O6Tl2
La2O6Tl2 is a complex ternary oxide composed of lanthanum, oxygen, and thallium. As a semiconducting material, it exhibits electronic properties that distinguish it from simple binary oxides, though its synthesis remains a challenge due to its position above the thermodynamic hull.
Because it is categorized as a metastable phase, this compound is primarily of interest to researchers investigating novel structural configurations in lanthanum-thallium-oxygen systems. Its existence across multiple databases highlights its role in computational materials discovery and the ongoing effort to map the stability limits of rare-earth thallates.
Key Properties
Cross-validated computational properties for La2O6Tl2, 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 La2O6Tl2, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.35 | 0.1568 | -6.762 | 8.18 |
| — | — | — | — | — | 6.91 |
| — | — | — | — | — | 7.58 |
| P63mc (No. 186) | — | — | — | — | — |
Applications
Where La2O6Tl2 is used.
Frequently Asked Questions
Common questions about La2O6Tl2, answered from cross-validated data.
What is La2O6Tl2?
La2O6Tl2 is a semiconducting ternary oxide of lanthanum and thallium that is considered thermodynamically metastable.
What is La2O6Tl2 used for?
What is the band gap of La2O6Tl2?
Is La2O6Tl2 a metal, semiconductor, or insulator?
Is La2O6Tl2 thermodynamically stable?
What is the crystal structure of La2O6Tl2?
What is the density of La2O6Tl2?
How many polymorphs of La2O6Tl2 are known?
What elements does La2O6Tl2 contain?
Where does the data for La2O6Tl2 come from?
How It Compares
As a unique ternary oxide, La2O6Tl2 serves as a specialized case study within the broader landscape of lanthanum-based semiconducting oxides, representing a complex structural arrangement that pushes the boundaries of thermodynamic stability.
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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