B4K4O24Si8
This compound is a complex borosilicate mineral belonging to the zeolite family. It is primarily studied for its structural properties and potential utility in molecular filtration and ion exchange processes.
BKOSi
Overview
Key Properties
Cross-validated computational properties for B4K4O24Si8, 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.
5.32 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for B4K4O24Si8, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 5.32 | 0.0000 | -7.887 | 2.63 |
| — | — | — | — | — | 2.63 |
| P212121 (No. 19) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.69 |
Uses
Applications
Where B4K4O24Si8 is used.
Molecular sievingIon exchange materialsCatalysis research
Reference
Frequently Asked Questions
Common questions about B4K4O24Si8, answered from cross-validated data.
What is B4K4O24Si8?
This compound is a complex borosilicate mineral belonging to the zeolite family. It is primarily studied for its structural properties and potential utility in molecular filtration and ion exchange processes.
What is B4K4O24Si8 used for?
B4K4O24Si8 is used in molecular sieving, ion exchange materials, and catalysis research.
What is the band gap of B4K4O24Si8?
B4K4O24Si8 has a DFT-computed band gap of 5.32 eV across 4 reported structures.
Is B4K4O24Si8 a metal, semiconductor, or insulator?
With a wide band gap up to 5.32 eV it is an insulator / wide-band-gap material.
Is B4K4O24Si8 thermodynamically stable?
Yes — B4K4O24Si8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of B4K4O24Si8?
The lowest-energy reported polymorph of B4K4O24Si8 is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of B4K4O24Si8?
The computed density of the ground-state structure of B4K4O24Si8 is 2.63 g/cm³.
How many polymorphs of B4K4O24Si8 are known?
4 structures of B4K4O24Si8 are reported across 4 databases, spanning 2 distinct space groups.
What elements does B4K4O24Si8 contain?
B4K4O24Si8 contains B, K, O, and Si (4 elements).
Where does the data for B4K4O24Si8 come from?
B4K4O24Si8 data is cross-referenced from materials_project, omat24, aflow, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- 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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