Ba6Co6O24Si6
Ba6Co6O24Si6 is an insulating barium cobalt silicate that is theoretically stable enough to be synthesized in a laboratory setting.
About Ba6Co6O24Si6
Ba6Co6O24Si6 is a complex silicate compound containing barium and cobalt. It functions as a wide-band-gap insulator, characterized by its distinct electronic structure and stable crystalline framework.
As a near-hull material, it is considered a promising candidate for experimental synthesis. Its unique composition makes it a valuable subject for investigating the interplay between transition metals and silicate networks in inorganic solid-state chemistry.
Key Properties
Cross-validated computational properties for Ba6Co6O24Si6, 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 Ba6Co6O24Si6, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 3.10 | 0.0166 | -7.683 | 4.43 |
| No. 0 | unknown | — | — | — | 0.67 |
| P63 (No. 173) | — | — | — | — | — |
Applications
Where Ba6Co6O24Si6 is used.
Frequently Asked Questions
Common questions about Ba6Co6O24Si6, answered from cross-validated data.
What is Ba6Co6O24Si6?
Ba6Co6O24Si6 is an insulating barium cobalt silicate that is theoretically stable enough to be synthesized in a laboratory setting.
What is Ba6Co6O24Si6 used for?
What is the band gap of Ba6Co6O24Si6?
Is Ba6Co6O24Si6 a metal, semiconductor, or insulator?
Is Ba6Co6O24Si6 thermodynamically stable?
What is the crystal structure of Ba6Co6O24Si6?
What is the density of Ba6Co6O24Si6?
How many polymorphs of Ba6Co6O24Si6 are known?
What elements does Ba6Co6O24Si6 contain?
Where does the data for Ba6Co6O24Si6 come from?
How It Compares
As a specialized silicate, Ba6Co6O24Si6 represents a distinct structural arrangement within the broader landscape of barium-cobalt-silicon oxides. While it currently stands as a unique entry in this chemical space, its thermodynamic proximity to the stability hull positions it as a significant reference point for future exploration of similar complex oxide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Ba6Co6O24Si6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →