Al2Si4O11
Al2Si4O11 is a metastable aluminosilicate framework material that functions as an electrical insulator.
About Al2Si4O11
Al2Si4O11 is a member of the aluminosilicate and zeolite framework family, characterized by its insulating electronic nature. As a metastable phase, it represents a specific structural configuration within the aluminum-silicon-oxygen system that provides insights into complex mineralogical transformations. Its framework architecture is of significant interest to researchers investigating the stability and synthesis of porous materials. Because of its insulating properties, it is primarily studied for its structural stability rather than as a conductor. The compound is often examined in the context of high-pressure or high-temperature geological processes where such metastable phases can persist or transition into more stable mineral forms.
Key Properties
Cross-validated computational properties for Al2Si4O11, 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 Al2Si4O11. 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 Al2Si4O11, 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. |
|---|---|---|---|---|---|
| — | — | 4.45 | 0.0311 | -3.104 | — |
| P-1 (No. 2) | triclinic | 4.19 | 0.0368 | -8.204 | 2.47 |
| P-1 (No. 2) | triclinic | 4.29 | 0.0496 | -2.978 | — |
| P-1 (No. 2) | triclinic | — | — | — | 2.57 |
| P-1 (No. 2) | triclinic | — | — | — | 2.47 |
| P-1 (No. 2) | triclinic | — | — | — | 2.56 |
| P-1 (No. 2) | triclinic | — | — | — | 2.61 |
| P-1 (No. 2) | triclinic | — | — | — | 2.53 |
Applications
Where Al2Si4O11 is used.
Frequently Asked Questions
Common questions about Al2Si4O11, answered from cross-validated data.
What is Al2Si4O11?
Al2Si4O11 is a metastable aluminosilicate framework material that functions as an electrical insulator.
What is Al2Si4O11 used for?
What is the band gap of Al2Si4O11?
Is Al2Si4O11 a metal, semiconductor, or insulator?
Is Al2Si4O11 thermodynamically stable?
What is the crystal structure of Al2Si4O11?
What is the density of Al2Si4O11?
How many polymorphs of Al2Si4O11 are known?
What elements does Al2Si4O11 contain?
Where does the data for Al2Si4O11 come from?
How It Compares
Within the aluminosilicates and zeolite frameworks class.
Within the diverse group of aluminosilicates, Al2Si4O11 occupies a distinct position compared to more common, stable minerals like Al2SiO5 or the framework-rich NaAlSi3O8. While many of its siblings, such as LiAlSiO4 or KAlSiO4, are well-characterized and widely utilized in industrial catalysis or ceramics, Al2Si4O11 is less prevalent and remains a subject of specialized structural study due to its metastable nature.
Related Compounds
Other Aluminosilicates and Zeolite Frameworks in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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