La2Ti3O9
La2Ti3O9 is a metastable, wide-gap insulating perovskite oxide used in fundamental materials research.
About La2Ti3O9
La2Ti3O9 is a complex perovskite oxide that exists in a metastable state, distinguishing it from more common, highly stable perovskite phases. Its electronic character is defined by a wide band gap, classifying it as a robust insulator suitable for specialized electronic applications.
This material is of significant interest in materials science due to its structural versatility, as evidenced by the numerous reported structural variations. It serves as a critical subject for researchers investigating the limits of phase stability and dielectric performance in lanthanum-based oxide systems.
Key Properties
Cross-validated computational properties for La2Ti3O9, 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 La2Ti3O9, 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 | 1.99 | 0.0389 | -9.264 | 5.25 |
| P-1 (No. 2) | triclinic | 2.51 | 0.0404 | -9.262 | 4.98 |
| P1 (No. 1) | triclinic | 2.01 | 0.0546 | -9.248 | 5.25 |
| P21 (No. 4) | monoclinic | 2.77 | 0.0842 | -9.219 | 4.72 |
| Pnma (No. 62) | orthorhombic | 2.67 | 0.0870 | -9.216 | 4.28 |
| P63/m (No. 176) | hexagonal | 3.84 | 0.0871 | -9.216 | 4.12 |
| I23 (No. 197) | cubic | 2.06 | 0.0963 | -9.206 | 4.88 |
| Immm (No. 71) | orthorhombic | 0.00 | 0.4272 | -8.876 | 4.82 |
| P-1 (No. 2) | triclinic | 0.00 | 2.3976 | -6.905 | 4.98 |
| P63/m (No. 176) | Hexagonal | — | — | — | 4.19 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.98 |
| P63/m (No. 176) | Hexagonal | — | — | — | 4.12 |
Applications
Where La2Ti3O9 is used.
Frequently Asked Questions
Common questions about La2Ti3O9, answered from cross-validated data.
What is La2Ti3O9?
La2Ti3O9 is a metastable, wide-gap insulating perovskite oxide used in fundamental materials research.
What is La2Ti3O9 used for?
What is the band gap of La2Ti3O9?
Is La2Ti3O9 a metal, semiconductor, or insulator?
Is La2Ti3O9 thermodynamically stable?
What is the crystal structure of La2Ti3O9?
What is the density of La2Ti3O9?
How many polymorphs of La2Ti3O9 are known?
What elements does La2Ti3O9 contain?
Where does the data for La2Ti3O9 come from?
How It Compares
Within the perovskite oxides class.
Unlike the highly stable and widely utilized BaTiO3 or the conductive LaNiO3, La2Ti3O9 occupies a more niche space within the perovskite oxide family due to its metastable nature. While siblings like LaAlO3 are frequently used as standard substrates, La2Ti3O9 offers a different structural landscape that challenges conventional synthesis pathways and provides a unique case study in the thermodynamic evolution of titanate-based perovskites.
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.
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