BaSrLaBiO6
BaSrLaBiO6 is a semiconducting complex oxide that shows potential for synthesis due to its favorable thermodynamic stability.
About BaSrLaBiO6
BaSrLaBiO6 is a complex quaternary oxide incorporating barium, strontium, lanthanum, and bismuth. Its electronic character positions it as a semiconductor, making it a subject of interest for researchers exploring functional oxide materials with tunable properties.
The material exhibits near-hull thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. With a significant number of structural configurations already documented in computational databases, it represents a versatile platform for investigating structure-property relationships in multi-cation oxide systems.
Key Properties
Cross-validated computational properties for BaSrLaBiO6, 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 BaSrLaBiO6, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.81 | 0.0101 | -7.000 | 6.53 |
| P222 (No. 16) | orthorhombic | 1.88 | 0.0248 | -6.985 | 6.47 |
| Pc (No. 7) | monoclinic | 1.88 | 0.0319 | -6.978 | 6.56 |
| Pnnn (No. 48) | orthorhombic | 1.92 | 0.0835 | -6.926 | 6.47 |
| F-43m (No. 216) | cubic | 2.12 | 0.0879 | -6.922 | 6.33 |
| I-4 (No. 82) | tetragonal | 1.95 | 0.0986 | -6.911 | 6.56 |
| P-4n2 (No. 118) | tetragonal | 1.90 | 0.1221 | -6.888 | 6.60 |
| F-43m (No. 216) | cubic | 1.87 | 0.3094 | -6.700 | 6.45 |
| P-4n2 (No. 118) | Tetragonal | — | — | — | 6.60 |
| F-43m (No. 216) | Cubic | — | — | — | 6.50 |
| I-4 (No. 82) | Tetragonal | — | — | — | 6.56 |
| P-4n2 (No. 118) | Tetragonal | — | — | — | 6.75 |
Applications
Where BaSrLaBiO6 is used.
Frequently Asked Questions
Common questions about BaSrLaBiO6, answered from cross-validated data.
What is BaSrLaBiO6?
BaSrLaBiO6 is a semiconducting complex oxide that shows potential for synthesis due to its favorable thermodynamic stability.
What is BaSrLaBiO6 used for?
What is the band gap of BaSrLaBiO6?
Is BaSrLaBiO6 a metal, semiconductor, or insulator?
Is BaSrLaBiO6 thermodynamically stable?
What is the crystal structure of BaSrLaBiO6?
What is the density of BaSrLaBiO6?
How many polymorphs of BaSrLaBiO6 are known?
What elements does BaSrLaBiO6 contain?
Where does the data for BaSrLaBiO6 come from?
How It Compares
As a complex oxide with multiple cation sites, BaSrLaBiO6 serves as a representative example of the structural flexibility found in perovskite-related materials. While it currently stands as a unique entry in this specific compositional space, its ability to accommodate diverse metallic ions suggests it could serve as a foundational building block for future research into complex semiconducting oxides.
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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