B4Ca4O20Si4
B4Ca4O20Si4 is a metastable semiconducting borosilicate compound composed of boron, calcium, oxygen, and silicon.
About B4Ca4O20Si4
B4Ca4O20Si4 is a complex borosilicate compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a specific structural arrangement within the broader landscape of calcium-based borosilicates, offering a unique configuration of boron, calcium, oxygen, and silicon atoms.
This material is of interest to researchers investigating the structural diversity of complex oxides. Its metastable state suggests a delicate balance of bonding environments, making it a subject of study for those exploring synthetic pathways and the stability limits of multi-component ceramic systems.
Key Properties
Cross-validated computational properties for B4Ca4O20Si4, 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 B4Ca4O20Si4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.40 | 0.0808 | -7.835 | 2.96 |
| No. 0 | unknown | — | — | — | 0.49 |
| No. 0 | unknown | — | — | — | 0.49 |
| No. 0 | unknown | — | — | — | 0.48 |
| No. 0 | unknown | — | — | — | 0.48 |
| No. 0 | unknown | — | — | — | 0.48 |
| No. 0 | unknown | — | — | — | 0.48 |
| No. 0 | unknown | — | — | — | 0.48 |
| No. 0 | unknown | — | — | — | 0.75 |
| — | — | — | — | — | 2.58 |
| No. 0 | unknown | — | — | — | 0.61 |
| No. 0 | unknown | — | — | — | 0.65 |
Applications
Where B4Ca4O20Si4 is used.
Frequently Asked Questions
Common questions about B4Ca4O20Si4, answered from cross-validated data.
What is B4Ca4O20Si4?
B4Ca4O20Si4 is a metastable semiconducting borosilicate compound composed of boron, calcium, oxygen, and silicon.
What is B4Ca4O20Si4 used for?
What is the band gap of B4Ca4O20Si4?
Is B4Ca4O20Si4 a metal, semiconductor, or insulator?
Is B4Ca4O20Si4 thermodynamically stable?
What is the crystal structure of B4Ca4O20Si4?
What is the density of B4Ca4O20Si4?
How many polymorphs of B4Ca4O20Si4 are known?
What elements does B4Ca4O20Si4 contain?
Where does the data for B4Ca4O20Si4 come from?
How It Compares
As a distinct member of the borosilicate family, B4Ca4O20Si4 occupies a specific niche defined by its semiconducting properties. While many related silicates are insulating, this compound's electronic character highlights the influence of boron incorporation on the material's overall behavior, distinguishing it from more conventional, stable silicate mineral structures.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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