Al2H4O9Si2
Kaolinite · clay mineral, aluminum silicate hydroxide
Al2H4O9Si2 is a stable, insulating aluminosilicate mineral widely used in industrial applications ranging from ceramics to paper production.
About Kaolinite
Al2H4O9Si2 is a prominent member of the aluminosilicate family, characterized by its insulating electronic properties and robust structural framework. As a near-hull phase, it exhibits high thermodynamic stability, making it a naturally occurring and easily synthesizable material of significant geological and industrial importance.
This compound serves as a foundational material in various mineralogical and synthetic applications. Its layered structure and chemical resilience allow it to function effectively in high-performance ceramics, as a filler in paper manufacturing, and as a critical component in specialized chemical processes.
Key Properties
Cross-validated computational properties for Kaolinite, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Al2H4O9Si2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Al2H4O9Si2, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 4.93 | 0.0180 | -7.109 | 2.50 |
| P1 (No. 1) | triclinic | 4.99 | 0.0187 | -7.108 | 2.52 |
| Cc (No. 9) | monoclinic | 4.87 | 0.0202 | -7.106 | 2.46 |
| Cc (No. 9) | monoclinic | 4.90 | 0.0211 | -7.106 | 2.49 |
| Cm (No. 8) | monoclinic | 4.94 | 0.0225 | -7.104 | 2.54 |
| Cm (No. 8) | monoclinic | 4.51 | 0.0357 | -7.091 | 2.46 |
| Cc (No. 9) | monoclinic | 4.23 | 0.3813 | -6.745 | 1.81 |
| Cc (No. 9) | monoclinic | 0.00 | 0.6689 | -6.458 | 1.89 |
| No. 0 | unknown | — | — | — | 0.65 |
| No. 0 | unknown | — | — | — | 2.60 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Kaolinite is used.
Frequently Asked Questions
Common questions about Kaolinite, answered from cross-validated data.
What is Al2H4O9Si2?
Al2H4O9Si2 is a stable, insulating aluminosilicate mineral widely used in industrial applications ranging from ceramics to paper production.
What is Al2H4O9Si2 used for?
What is the band gap of Al2H4O9Si2?
Is Al2H4O9Si2 a metal, semiconductor, or insulator?
Is Al2H4O9Si2 thermodynamically stable?
What is the crystal structure of Al2H4O9Si2?
What is the density of Al2H4O9Si2?
How many polymorphs of Al2H4O9Si2 are known?
What elements does Al2H4O9Si2 contain?
Where does the data for Al2H4O9Si2 come from?
How It Compares
Within the aluminosilicates and zeolite frameworks class.
Within the diverse class of aluminosilicates, Al2H4O9Si2 stands out for its distinct layered morphology compared to the more rigid, three-dimensional framework structures found in minerals like NaAlSi3O8 or the dense, high-pressure phases such as Al2SiO5. While compounds like CaAl2SiO6 often form under different geological conditions, Al2H4O9Si2 remains one of the most accessible and widely utilized members of the group due to its stability and abundance.
Related Compounds
Other Aluminosilicates and Zeolite Frameworks in the database.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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