Ba6Bi2Na2O12
Ba6Bi2Na2O12 is a thermodynamically stable semiconducting quaternary oxide composed of barium, bismuth, sodium, and oxygen.
About Ba6Bi2Na2O12
Ba6Bi2Na2O12 is a complex oxide featuring a unique arrangement of barium, bismuth, sodium, and oxygen atoms. Its electronic character as a semiconductor suggests it may hold potential for specialized optoelectronic or catalytic applications where specific charge transport properties are required.
As a thermodynamically stable phase located on the convex hull, this compound exhibits robust structural integrity. With multiple reported structures across major databases, it serves as a significant subject for researchers investigating complex quaternary oxides and their potential for functional material design.
Key Properties
Cross-validated computational properties for Ba6Bi2Na2O12, 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 Ba6Bi2Na2O12, 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-3c (No. 167) | trigonal | 1.71 | 0.0000 | -6.134 | 6.19 |
| C2/c (No. 15) | monoclinic | 0.33 | 0.5823 | -5.552 | 4.29 |
| R-3c (No. 167) | — | — | — | — | — |
| — | — | — | — | — | 6.19 |
Applications
Where Ba6Bi2Na2O12 is used.
Frequently Asked Questions
Common questions about Ba6Bi2Na2O12, answered from cross-validated data.
What is Ba6Bi2Na2O12?
Ba6Bi2Na2O12 is a thermodynamically stable semiconducting quaternary oxide composed of barium, bismuth, sodium, and oxygen.
What is Ba6Bi2Na2O12 used for?
What is the band gap of Ba6Bi2Na2O12?
Is Ba6Bi2Na2O12 a metal, semiconductor, or insulator?
Is Ba6Bi2Na2O12 thermodynamically stable?
What is the crystal structure of Ba6Bi2Na2O12?
What is the density of Ba6Bi2Na2O12?
How many polymorphs of Ba6Bi2Na2O12 are known?
What elements does Ba6Bi2Na2O12 contain?
Where does the data for Ba6Bi2Na2O12 come from?
How It Compares
As a quaternary oxide, Ba6Bi2Na2O12 represents a distinct structural configuration within the landscape of complex bismuth-based ceramics, offering a stable framework that differentiates it from simpler binary or ternary metal oxides.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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