Ba2O18Si6Sn2
Ba2O18Si6Sn2 is a thermodynamically stable, insulating quaternary oxide composed of barium, silicon, and tin.
About Ba2O18Si6Sn2
Ba2O18Si6Sn2 is a complex oxide featuring barium, silicon, and tin. As a wide-band-gap insulator, it exhibits robust electronic characteristics that make it an interesting subject for materials science research.
Because it sits on the thermodynamic convex hull, this compound is highly stable under standard conditions. Its existence across multiple structural databases highlights its significance as a well-defined crystalline phase.
Key Properties
Cross-validated computational properties for Ba2O18Si6Sn2, 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 Ba2O18Si6Sn2, 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-6c2 (No. 188) | hexagonal | 3.73 | 0.0000 | -7.860 | 3.98 |
| — | — | — | — | — | 3.98 |
| P-6c2 (No. 188) | — | — | — | — | — |
Applications
Where Ba2O18Si6Sn2 is used.
Frequently Asked Questions
Common questions about Ba2O18Si6Sn2, answered from cross-validated data.
What is Ba2O18Si6Sn2?
Ba2O18Si6Sn2 is a thermodynamically stable, insulating quaternary oxide composed of barium, silicon, and tin.
What is Ba2O18Si6Sn2 used for?
What is the band gap of Ba2O18Si6Sn2?
Is Ba2O18Si6Sn2 a metal, semiconductor, or insulator?
Is Ba2O18Si6Sn2 thermodynamically stable?
What is the crystal structure of Ba2O18Si6Sn2?
What is the density of Ba2O18Si6Sn2?
How many polymorphs of Ba2O18Si6Sn2 are known?
What elements does Ba2O18Si6Sn2 contain?
Where does the data for Ba2O18Si6Sn2 come from?
How It Compares
As a unique inorganic oxide, this compound represents a specialized structural arrangement of barium, silicon, and tin. While it currently stands as a distinct entry without close structural siblings in this specific dataset, its stability suggests it serves as a reliable baseline for investigating complex quaternary oxide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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