Ba3O9Y4
Ba3O9Y4 is a wide-band-gap insulating oxide that shows significant potential for synthesis due to its favorable thermodynamic stability.
About Ba3O9Y4
Ba3O9Y4 is a complex oxide composed of barium, yttrium, and oxygen. As a wide-band-gap insulator, it exhibits electronic properties characteristic of highly stable dielectric materials, making it a subject of interest for fundamental solid-state research.
Given its near-hull thermodynamic stability, this compound is considered a promising candidate for experimental synthesis. Its structural data across multiple databases highlights its potential role in advanced ceramic or electronic component development.
Key Properties
Cross-validated computational properties for Ba3O9Y4, 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 Ba3O9Y4, 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. |
|---|---|---|---|---|---|
| R3 (No. 146) | trigonal | 3.32 | 0.0144 | -8.298 | 5.52 |
| P1 (No. 1) | triclinic | 3.37 | 0.0253 | -8.287 | 5.38 |
| R3 (No. 146) | — | — | — | — | — |
| R3 (No. 146) | — | — | — | — | — |
Applications
Where Ba3O9Y4 is used.
Frequently Asked Questions
Common questions about Ba3O9Y4, answered from cross-validated data.
What is Ba3O9Y4?
Ba3O9Y4 is a wide-band-gap insulating oxide that shows significant potential for synthesis due to its favorable thermodynamic stability.
What is Ba3O9Y4 used for?
What is the band gap of Ba3O9Y4?
Is Ba3O9Y4 a metal, semiconductor, or insulator?
Is Ba3O9Y4 thermodynamically stable?
What is the crystal structure of Ba3O9Y4?
What is the density of Ba3O9Y4?
How many polymorphs of Ba3O9Y4 are known?
What elements does Ba3O9Y4 contain?
Where does the data for Ba3O9Y4 come from?
How It Compares
As a unique oxide in its compositional space, Ba3O9Y4 serves as a benchmark for understanding the structural interplay between barium and yttrium in oxygen-rich environments. Without direct siblings in this specific classification, it stands as a standalone example of how complex stoichiometry can achieve relative thermodynamic stability.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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