NaSi3BO8
NaSi3BO8 is a wide-gap insulating borosilicate compound that is theoretically predicted to be stable enough for experimental synthesis.
About NaSi3BO8
NaSi3BO8 is an insulating borosilicate compound characterized by a wide electronic band gap. As a complex oxide, it represents a structural arrangement where boron, silicon, sodium, and oxygen atoms form a stable framework, making it a subject of interest for materials research focused on dielectric properties.
Due to its near-hull thermodynamic stability, this compound is considered a viable candidate for laboratory synthesis. Its structural configuration provides a foundation for exploring new inorganic materials that require insulating behavior and robust chemical bonding.
Key Properties
Cross-validated computational properties for NaSi3BO8, 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 NaSi3BO8, 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-1 (No. 2) | triclinic | 5.36 | 0.0073 | -7.985 | 2.68 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.69 |
| No. 0 | unknown | — | — | — | 0.70 |
Applications
Where NaSi3BO8 is used.
Frequently Asked Questions
Common questions about NaSi3BO8, answered from cross-validated data.
What is NaSi3BO8?
NaSi3BO8 is a wide-gap insulating borosilicate compound that is theoretically predicted to be stable enough for experimental synthesis.
What is NaSi3BO8 used for?
What is the band gap of NaSi3BO8?
Is NaSi3BO8 a metal, semiconductor, or insulator?
Is NaSi3BO8 thermodynamically stable?
What is the crystal structure of NaSi3BO8?
What is the density of NaSi3BO8?
How many polymorphs of NaSi3BO8 are known?
What elements does NaSi3BO8 contain?
Where does the data for NaSi3BO8 come from?
How It Compares
As a unique borosilicate, NaSi3BO8 occupies a specific niche in structural chemistry. While it currently stands as an individual entry in this class, its proximity to the thermodynamic hull distinguishes it from less stable theoretical phases, positioning it as a significant target for experimental validation within the broader family of complex sodium-based oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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