Ba2LaO6Sb
Ba2LaO6Sb is a stable, wide-gap insulating quaternary oxide used in materials research.
About Ba2LaO6Sb
Ba2LaO6Sb is a complex quaternary oxide that exhibits a wide-band-gap electronic character, classifying it as an insulator. Its structural integrity is underscored by its status as a thermodynamically stable phase on the convex hull, making it a robust candidate for fundamental research into oxide systems.
Because of its stable nature and insulating properties, this compound serves as a valuable subject for investigating the interplay between heavy alkaline earth and rare earth cations within an antimonate framework. It is primarily utilized in academic and materials discovery contexts to expand the library of stable, high-performance dielectric materials.
Key Properties
Cross-validated computational properties for Ba2LaO6Sb, 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 Ba2LaO6Sb, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 3.90 | 0.0000 | -7.291 | 6.48 |
| Pn-3 (No. 201) | cubic | 3.88 | 0.0069 | -7.284 | 6.29 |
| P21/c (No. 14) | monoclinic | 3.85 | 0.0071 | -7.284 | 6.28 |
| Fm-3m (No. 225) | cubic | 3.88 | 0.0081 | -7.283 | 6.29 |
| R-3 (No. 148) | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where Ba2LaO6Sb is used.
Frequently Asked Questions
Common questions about Ba2LaO6Sb, answered from cross-validated data.
What is Ba2LaO6Sb?
Ba2LaO6Sb is a stable, wide-gap insulating quaternary oxide used in materials research.
What is Ba2LaO6Sb used for?
What is the band gap of Ba2LaO6Sb?
Is Ba2LaO6Sb a metal, semiconductor, or insulator?
Is Ba2LaO6Sb thermodynamically stable?
What is the crystal structure of Ba2LaO6Sb?
What is the density of Ba2LaO6Sb?
How many polymorphs of Ba2LaO6Sb are known?
What elements does Ba2LaO6Sb contain?
Where does the data for Ba2LaO6Sb come from?
How It Compares
As a thermodynamically stable oxide, Ba2LaO6Sb represents a reliable structural archetype within the broader family of complex quaternary antimonates, serving as a benchmark for stability in similar insulating oxide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
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