BaSrCaWO6
BaSrCaWO6 is a wide-gap insulating complex oxide that is thermodynamically stable and potentially useful for advanced dielectric research.
About BaSrCaWO6
BaSrCaWO6 is a complex quaternary oxide characterized by its wide-gap insulating electronic profile. Its structural configuration suggests a robust framework that positions it as a promising candidate for further experimental investigation in materials science.
As a near-hull stable compound, it is considered highly likely to be synthesizable under standard laboratory conditions. Its existence within a diverse structural landscape highlights its potential utility in specialized ceramic or dielectric applications where insulating properties are required.
Key Properties
Cross-validated computational properties for BaSrCaWO6, 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 BaSrCaWO6, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 3.40 | 0.0141 | -7.853 | 6.04 |
| P-1 (No. 2) | triclinic | 3.40 | 0.0148 | -7.852 | 6.04 |
| P222 (No. 16) | orthorhombic | 3.25 | 0.0184 | -7.849 | 6.02 |
| F-43m (No. 216) | cubic | 3.20 | 0.0418 | -7.825 | 6.00 |
| P-1 (No. 2) | triclinic | 3.37 | 0.0927 | -7.775 | 5.84 |
| P222 (No. 16) | orthorhombic | 3.27 | 0.0990 | -7.768 | 5.81 |
| P-4n2 (No. 118) | tetragonal | 3.37 | 0.1324 | -7.735 | 5.86 |
| F-43m (No. 216) | cubic | 3.14 | 0.2300 | -7.637 | 5.62 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.84 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.01 |
| F-43m (No. 216) | Cubic | — | — | — | 6.00 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.21 |
Applications
Where BaSrCaWO6 is used.
Frequently Asked Questions
Common questions about BaSrCaWO6, answered from cross-validated data.
What is BaSrCaWO6?
BaSrCaWO6 is a wide-gap insulating complex oxide that is thermodynamically stable and potentially useful for advanced dielectric research.
What is BaSrCaWO6 used for?
What is the band gap of BaSrCaWO6?
Is BaSrCaWO6 a metal, semiconductor, or insulator?
Is BaSrCaWO6 thermodynamically stable?
What is the crystal structure of BaSrCaWO6?
What is the density of BaSrCaWO6?
How many polymorphs of BaSrCaWO6 are known?
What elements does BaSrCaWO6 contain?
Where does the data for BaSrCaWO6 come from?
How It Compares
As a unique quaternary oxide, BaSrCaWO6 serves as a representative example of complex tungsten-based perovskite-like structures. Without direct siblings in this specific compositional class, it stands as a standalone study in how alkaline earth metal substitution influences the stability and electronic behavior of heavy-metal oxides.
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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