Ba6O24Si6Zn6
Ba6O24Si6Zn6 is a stable, wide-gap insulating quaternary oxide composed of barium, zinc, silicon, and oxygen.
About Ba6O24Si6Zn6
Ba6O24Si6Zn6 is a complex quaternary oxide incorporating barium, zinc, silicon, and oxygen. As a wide-gap insulating material, it exhibits electronic properties characteristic of stable, non-conductive ceramic frameworks that are often explored for their structural integrity in demanding environments.
Its status as a near-hull material suggests that it is thermodynamically favorable and likely synthesizable under controlled experimental conditions. The existence of multiple reported structures across databases highlights its interest within the scientific community as a candidate for further materials discovery and characterization.
Key Properties
Cross-validated computational properties for Ba6O24Si6Zn6, aggregated across 4 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 Ba6O24Si6Zn6, 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 | 3.59 | 0.0106 | -6.999 | 4.49 |
| P63 (No. 173) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.69 |
| No. 0 | unknown | — | — | — | 0.73 |
| — | — | — | — | — | 4.37 |
Applications
Where Ba6O24Si6Zn6 is used.
Frequently Asked Questions
Common questions about Ba6O24Si6Zn6, answered from cross-validated data.
What is Ba6O24Si6Zn6?
Ba6O24Si6Zn6 is a stable, wide-gap insulating quaternary oxide composed of barium, zinc, silicon, and oxygen.
What is Ba6O24Si6Zn6 used for?
What is the band gap of Ba6O24Si6Zn6?
Is Ba6O24Si6Zn6 a metal, semiconductor, or insulator?
Is Ba6O24Si6Zn6 thermodynamically stable?
What is the crystal structure of Ba6O24Si6Zn6?
What is the density of Ba6O24Si6Zn6?
How many polymorphs of Ba6O24Si6Zn6 are known?
What elements does Ba6O24Si6Zn6 contain?
Where does the data for Ba6O24Si6Zn6 come from?
How It Compares
As a unique quaternary silicate, this compound serves as an interesting case study for how the integration of barium and zinc into a silicate framework influences structural stability. Without direct siblings in its immediate class, it stands as a standalone example of complex oxide engineering where the balance of these specific metallic cations creates a stable, insulating lattice.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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