LaTaO4
Lanthanum tantalate is a ceramic oxide material known for its structural stability and dielectric properties. It is primarily investigated for its potential use in advanced electronic components and as a protective coating material.
Overview
Key Properties
Cross-validated computational properties for LaTaO4, aggregated across 4 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.
2.70–3.47 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
4 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LaTaO4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.47 | 0.0000 | -9.812 | 7.78 |
| Cmc21 (No. 36) | orthorhombic | 3.39 | 0.0057 | -9.806 | 7.75 |
| Pbca (No. 61) | orthorhombic | 2.70 | 0.0221 | -9.790 | 7.50 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 7.55 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 7.95 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 7.69 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.61 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.74 |
| No. 0 | unknown | — | — | — | 0.97 |
| P21/c (No. 14) | Monoclinic | — | — | — | 8.00 |
| Cmc21 (No. 36) | — | — | — | — | — |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting LaTaO4.
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where LaTaO4 is used.
Dielectric materialsProtective coatingsCatalysis research
Reference
Frequently Asked Questions
Common questions about LaTaO4, answered from cross-validated data.
What is LaTaO4?
Lanthanum tantalate is a ceramic oxide material known for its structural stability and dielectric properties. It is primarily investigated for its potential use in advanced electronic components and as a protective coating material.
More questions
What is LaTaO4 used for?
LaTaO4 is used in dielectric materials, protective coatings, and catalysis research.
What is the band gap of LaTaO4?
LaTaO4 has a DFT-computed band gap of 2.70–3.47 eV across 11 reported structures.
Is LaTaO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.47 eV it is an insulator / wide-band-gap material.
Is LaTaO4 thermodynamically stable?
Yes — LaTaO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LaTaO4?
The lowest-energy reported polymorph of LaTaO4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of LaTaO4?
The computed density of the ground-state structure of LaTaO4 is 7.78 g/cm³.
How many polymorphs of LaTaO4 are known?
11 structures of LaTaO4 are reported across 4 databases, spanning 4 distinct space groups.
How is LaTaO4 synthesized?
Literature-reported routes for LaTaO4 include sol-gel.
What elements does LaTaO4 contain?
LaTaO4 contains La, O, and Ta (3 elements).
Where does the data for LaTaO4 come from?
LaTaO4 data is cross-referenced from materials_project, mpaloe, cod, jarvis.
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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.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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