Ba2LaNbO6
This complex oxide belongs to the double perovskite family of materials. It is primarily studied for its structural and dielectric properties in advanced electronic and ceramic research.
Overview
Key Properties
Cross-validated computational properties for Ba2LaNbO6, 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.
2.96–3.06 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.
5
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ba2LaNbO6, 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 | 3.06 | 0.0000 | -8.244 | 6.01 |
| Pn-3 (No. 201) | cubic | 2.97 | 0.0135 | -8.231 | 5.95 |
| Fm-3m (No. 225) | cubic | 2.96 | 0.0235 | -8.221 | 5.91 |
| — | — | — | — | — | 5.78 |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where Ba2LaNbO6 is used.
Dielectric resonatorsMicrowave communication componentsSolid-state chemistry research
Reference
Frequently Asked Questions
Common questions about Ba2LaNbO6, answered from cross-validated data.
What is Ba2LaNbO6?
This complex oxide belongs to the double perovskite family of materials. It is primarily studied for its structural and dielectric properties in advanced electronic and ceramic research.
More questions
What is Ba2LaNbO6 used for?
Ba2LaNbO6 is used in dielectric resonators, microwave communication components, and solid-state chemistry research.
What is the band gap of Ba2LaNbO6?
Ba2LaNbO6 has a DFT-computed band gap of 2.96–3.06 eV across 5 reported structures.
Is Ba2LaNbO6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.06 eV it is an insulator / wide-band-gap material.
Is Ba2LaNbO6 thermodynamically stable?
Yes — Ba2LaNbO6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ba2LaNbO6?
The lowest-energy reported polymorph of Ba2LaNbO6 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Ba2LaNbO6?
The computed density of the ground-state structure of Ba2LaNbO6 is 6.01 g/cm³.
How many polymorphs of Ba2LaNbO6 are known?
5 structures of Ba2LaNbO6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Ba2LaNbO6 contain?
Ba2LaNbO6 contains Ba, La, Nb, and O (4 elements).
Where does the data for Ba2LaNbO6 come from?
Ba2LaNbO6 data is cross-referenced from materials_project, omat24, jarvis.
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Related Compounds
Other Lead-Free Piezoelectrics 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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