B3Ce3O15Si3
B3Ce3O15Si3 is a thermodynamically stable, semiconducting borosilicate material containing cerium.
About B3Ce3O15Si3
B3Ce3O15Si3 is a complex inorganic compound composed of boron, cerium, oxygen, and silicon. As a thermodynamically stable phase on the convex hull, it represents a robust structural arrangement that is well-suited for further investigation in materials science research. Its electronic character as a semiconductor makes it an intriguing candidate for specialized electronic or optical applications where stable, multi-element frameworks are required. The presence of rare-earth cerium within the borosilicate lattice suggests potential utility in fields involving luminescence or catalytic processes where electronic behavior is critical. It remains a focused subject of study due to its distinct structural configuration.
Key Properties
Cross-validated computational properties for B3Ce3O15Si3, 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 B3Ce3O15Si3, 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. |
|---|---|---|---|---|---|
| P31 (No. 144) | trigonal | 0.16 | 0.0000 | -8.715 | 4.74 |
| P31 (No. 144) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.58 |
| P31 (No. 144) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.58 |
Applications
Where B3Ce3O15Si3 is used.
Frequently Asked Questions
Common questions about B3Ce3O15Si3, answered from cross-validated data.
What is B3Ce3O15Si3?
B3Ce3O15Si3 is a thermodynamically stable, semiconducting borosilicate material containing cerium.
What is B3Ce3O15Si3 used for?
What is the band gap of B3Ce3O15Si3?
Is B3Ce3O15Si3 a metal, semiconductor, or insulator?
Is B3Ce3O15Si3 thermodynamically stable?
What is the crystal structure of B3Ce3O15Si3?
What is the density of B3Ce3O15Si3?
How many polymorphs of B3Ce3O15Si3 are known?
What elements does B3Ce3O15Si3 contain?
Where does the data for B3Ce3O15Si3 come from?
How It Compares
As a unique inorganic compound, B3Ce3O15Si3 occupies a specialized niche within the broader landscape of complex borosilicates. Its thermodynamic stability distinguishes it as a reliable structural form, providing a baseline for understanding how the integration of cerium into a boron-silicon-oxygen network influences electronic semiconducting behavior compared to simpler silicate or borate frameworks.
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).
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