Class Statistics
What are Aluminosilicates and Zeolite Frameworks?
Aluminosilicates represent a vast and diverse class of minerals and synthetic materials composed primarily of aluminum, silicon, and oxygen. At the atomic level, these materials are characterized by a three-dimensional framework of linked tetrahedra, where aluminum ions partially substitute for silicon ions. This substitution creates a net negative charge within the crystal lattice, necessitating the presence of extra-framework cations—such as sodium, potassium, or calcium—to maintain electrical neutrality. This structural arrangement gives rise to a wide spectrum of physical and chemical properties, ranging from the dense, non-porous structures found in common feldspars to the highly ordered, porous architectures of zeolites. The importance of aluminosilicates in modern industry cannot be overstated. In their natural form, minerals like kaolin are foundational to the paper, ceramic, and rubber industries due to their plate-like morphology and chemical stability. Conversely, synthetic zeolites serve as the workhorses of the petrochemical industry, where their precise molecular-scale pore structures act as shape-selective catalysts for fluid catalytic cracking, converting heavy hydrocarbons into gasoline. Beyond refining, their ability to exchange ions makes them indispensable in water softening, detergent formulations, and environmental remediation efforts, where they effectively trap heavy metals and pollutants. Whether occurring as abundant crustal minerals or engineered as high-performance molecular sieves, aluminosilicates remain central to both geological processes and advanced chemical engineering, bridging the gap between raw earth materials and sophisticated industrial applications.
Top Aluminosilicates and Zeolite Frameworks
Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.
| Formula | Band Gap | Best EAH (eV/atom) | Stability | DFT Sources | Recipes |
|---|---|---|---|---|---|
| Mg2Al4Si5O18 | 4.35–4.96 eV | 0.0000 | On hull (stable) | 1 | 3 |
| Al2SiO5 | 1.31–5.75 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Ca2Al2SiO7 | 3.21–4.34 eV | 0.0002 | On hull (stable) | 2 | 1 |
| KAlSiO4 | 2.69–4.76 eV | 0.0000 | On hull (stable) | 2 | 0 |
| LiAlSiO4 | 4.69–5.25 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Al2H4O9Si2 | 4.23–4.99 eV | 0.0180 | Near hull (likely stable) | 1 | 0 |
| NaAlSi3O8 | 0.40–5.06 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Sr2Al2SiO7 | 4.20 eV | 0.0000 | On hull (stable) | 2 | 1 |
| CaAl2SiO6 | 0.12–4.62 eV | 0.0168 | Near hull (likely stable) | 2 | 0 |
| Al8O20Si4 | 1.31–5.75 eV | 0.0000 | On hull (stable) | 1 | 0 |
| NaAlSiO4 | 2.80–4.80 eV | 0.0000 | On hull (stable) | 2 | 0 |
| AlNaO8Si3 | 0.40–5.06 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Al3Li3O12Si3 | 4.69–5.25 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Al2CaO6Si | 0.12–4.62 eV | 0.0168 | Near hull (likely stable) | 1 | 0 |
| Al8Na8O32Si8 | 2.80–4.80 eV | 0.0000 | On hull (stable) | 2 | 0 |
| AlH2LiO5Si | 1.72–4.88 eV | 0.0132 | Near hull (likely stable) | 1 | 0 |
| CaAlSiO5 | 0.32 eV | 0.0618 | Metastable | 2 | 0 |
| Al2O9Si2 | 0.06–0.32 eV | 0.3167 | Above hull | 1 | 0 |
| Al4O16Si4Tl4 | 2.79–4.08 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Al4H8O18Si4 | 4.23–4.99 eV | 0.0180 | Near hull (likely stable) | 1 | 0 |
| KAlSi3O8 | 4.75–5.46 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Al2K2O16Si6 | 4.75–5.46 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Al2Si2O7 | 3.70–5.27 eV | 0.0230 | Near hull (likely stable) | 2 | 0 |
| LiAlSi3O8 | 5.42 eV | 0.0277 | Metastable | 2 | 0 |
| Al2K2O8Si2 | 2.69–4.76 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Al2Si4O11 | 4.17 eV | 0.0368 | Metastable | 2 | 0 |
| Al6Cl2Na8O24Si6 | 4.34–4.70 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Al6I2Na8O24Si6 | 4.15 eV | 0.0000 | On hull (stable) | 2 | 0 |
| Li2Al2Si4O13 | 0.30 eV | 0.1212 | Above hull | 2 | 0 |
| Al4O10Si2 | 1.31–5.75 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Al8O36Pb8Si8 | 2.82 eV | 0.0142 | Near hull (likely stable) | 2 | 0 |
| Al2Si2H4O9 | 4.23–4.99 eV | 0.0180 | Near hull (likely stable) | 1 | 0 |
| H4Al2O9Si2 | 4.23–4.99 eV | 0.0180 | Near hull (likely stable) | 1 | 0 |
| Al12Li12O48Si12 | 4.69–5.25 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Al2Na2O16Si6 | 0.40–5.06 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Al4H8Li4O20Si4 | 1.72–4.88 eV | 0.0132 | Near hull (likely stable) | 1 | 0 |
| Al4Ca2O12Si2 | 0.12–4.62 eV | 0.0168 | Near hull (likely stable) | 1 | 0 |
| LiAlSiH2O5 | 1.72–4.88 eV | 0.0132 | Near hull (likely stable) | 1 | 0 |
| Al16Ca8O48Si8 | 0.12–4.62 eV | 0.0168 | Near hull (likely stable) | 1 | 0 |
| LiAlSi2H2O7 | 2.56–4.86 eV | 0.0082 | Near hull (likely stable) | 1 | 0 |
| Al2O6Si2 | 0.36–3.03 eV | 0.0914 | Metastable | 1 | 0 |
| Al4Li4O16Si4 | 4.69–5.25 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Al4Na4O16Si4 | 2.80–4.80 eV | 0.0000 | On hull (stable) | 1 | 0 |
| Al1O3Si1 | 0.36–3.03 eV | 0.0914 | Metastable | 1 | 0 |
| Al4O18Si4 | 0.06–0.32 eV | 0.3167 | Above hull | 1 | 0 |
| Al2Ca2O10Si2 | 0.32 eV | 0.0618 | Metastable | 1 | 0 |
| Al4Ca2H12O26Si6 | 4.70–5.12 eV | 0.0054 | Near hull (likely stable) | 1 | 0 |
| LiAlSi2O7 | 1.86 eV | 0.1614 | Above hull | 1 | 0 |
| Al2H4Li2O14Si4 | 2.56–4.86 eV | 0.0082 | Near hull (likely stable) | 1 | 0 |
| Al2Li2O14Si4 | 1.86 eV | 0.1614 | Above hull | 1 | 0 |
Frequently Asked Questions
How many aluminosilicates and zeolite frameworks are in the database?
310 aluminosilicates and zeolite frameworks are tracked, of which 27 have multi-source DFT validation and 6 have documented synthesis routes.
What is the most data-rich aluminosilicates and zeolite framework?
Which aluminosilicates and zeolite framework has the widest band gap?
What is the primary difference between feldspars and zeolites?
Why is aluminum substitution important in these materials?
How do zeolites function as catalysts in the petroleum industry?
Are all aluminosilicates naturally occurring?
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