Ba4O20Si8
Ba4O20Si8 is a stable, insulating barium silicate compound used in materials research for its structural and electronic properties.
About Ba4O20Si8
Ba4O20Si8 is a complex barium silicate that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined by a wide band gap, classifying it as a robust insulating material suitable for applications requiring high dielectric stability and structural integrity. The compound is characterized by a well-defined crystalline arrangement, reflecting its presence in multiple structural databases. As a stable silicate, it serves as a fundamental building block in materials science research, offering predictable behavior under various environmental conditions. Its insulating nature makes it a candidate for specialized ceramic or glass-ceramic applications where electronic isolation is paramount.
Key Properties
Cross-validated computational properties for Ba4O20Si8, 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 Ba4O20Si8, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 4.76 | 0.0000 | -8.049 | 3.73 |
| C2/c (No. 15) | monoclinic | 4.63 | 0.0033 | -8.046 | 3.72 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Ba4O20Si8 is used.
Frequently Asked Questions
Common questions about Ba4O20Si8, answered from cross-validated data.
What is Ba4O20Si8?
Ba4O20Si8 is a stable, insulating barium silicate compound used in materials research for its structural and electronic properties.
What is Ba4O20Si8 used for?
What is the band gap of Ba4O20Si8?
Is Ba4O20Si8 a metal, semiconductor, or insulator?
Is Ba4O20Si8 thermodynamically stable?
What is the crystal structure of Ba4O20Si8?
What is the density of Ba4O20Si8?
How many polymorphs of Ba4O20Si8 are known?
What elements does Ba4O20Si8 contain?
Where does the data for Ba4O20Si8 come from?
How It Compares
As a distinct barium silicate, Ba4O20Si8 occupies a unique position within the broader family of alkaline earth silicates. While many silicates in this category are studied for their fluxing properties or glass-forming capabilities, this compound is notable for its thermodynamic stability and specific stoichiometric configuration, which differentiates it from simpler binary silicate phases.
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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