La2Ta2O9
La2Ta2O9 is a semiconducting perovskite-related oxide known for its structural complexity and metastable thermodynamic nature.
About La2Ta2O9
La2Ta2O9 is a complex oxide belonging to the perovskite-related family, characterized by its semiconducting electronic nature. Its structural arrangement reflects the intricate interplay between lanthanum, tantalum, and oxygen ions, which dictates its physical behavior in solid-state systems. Due to its position relative to the thermodynamic ground state, this compound is often studied for its metastability. Research into its various reported structural configurations provides valuable insights into the synthesis challenges and potential functional utility of complex tantalum-based oxides.
Key Properties
Cross-validated computational properties for La2Ta2O9, 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 La2Ta2O9, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.21 | 0.1238 | -9.314 | 6.70 |
| P21/c (No. 14) | monoclinic | 0.22 | 0.1246 | -9.313 | 6.70 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.70 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.07 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.84 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.70 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.05 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.83 |
Applications
Where La2Ta2O9 is used.
Frequently Asked Questions
Common questions about La2Ta2O9, answered from cross-validated data.
What is La2Ta2O9?
La2Ta2O9 is a semiconducting perovskite-related oxide known for its structural complexity and metastable thermodynamic nature.
What is La2Ta2O9 used for?
What is the band gap of La2Ta2O9?
Is La2Ta2O9 a metal, semiconductor, or insulator?
Is La2Ta2O9 thermodynamically stable?
What is the crystal structure of La2Ta2O9?
What is the density of La2Ta2O9?
How many polymorphs of La2Ta2O9 are known?
What elements does La2Ta2O9 contain?
Where does the data for La2Ta2O9 come from?
How It Compares
Within the perovskite oxides class.
Within the diverse class of perovskite oxides, La2Ta2O9 occupies a distinct niche compared to highly stable and widely utilized members like BaTiO3 or LaAlO3. While materials such as LaMnO3 and LaCoO3 are celebrated for their rich magnetic and catalytic properties, La2Ta2O9 is distinguished by its electronic semiconducting character and its tendency to exist in a metastable state, making it a subject of fundamental interest in materials discovery rather than a standard commercial component.
Related Compounds
Other Perovskite Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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