LiAlSi2H2O7
LiAlSi2H2O7 is a lithium-containing aluminosilicate framework material characterized by its insulating electronic properties and potential for laboratory synthesis.
About LiAlSi2H2O7
LiAlSi2H2O7 is a complex aluminosilicate framework that incorporates lithium and hydrogen within its structural lattice. As a wide-gap insulator, it exhibits the characteristic electronic properties expected of stable silicate-based minerals, making it a subject of interest for structural materials research.
Its position as a near-hull phase suggests that it is a viable candidate for experimental synthesis. The material belongs to a diverse class of aluminosilicates, where the precise arrangement of lithium and hydrogen ions plays a critical role in defining its stability and potential functional utility in chemical or structural applications.
Key Properties
Cross-validated computational properties for LiAlSi2H2O7, 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 LiAlSi2H2O7, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 4.86 | 0.0082 | -7.227 | 2.22 |
| P1 (No. 1) | triclinic | 3.98 | 0.0928 | -7.143 | 2.21 |
| P1 (No. 1) | triclinic | 2.56 | 0.5411 | -6.695 | 2.27 |
| P1 (No. 1) | triclinic | 2.86 | 0.5879 | -6.648 | 2.49 |
| No. 0 | unknown | — | — | — | 2.30 |
| P1 (No. 1) | Triclinic | — | — | — | 2.21 |
| No. 0 | unknown | — | — | — | 2.29 |
| P1 (No. 1) | Triclinic | — | — | — | 2.33 |
| P1 (No. 1) | Triclinic | — | — | — | 2.26 |
| P1 (No. 1) | Triclinic | — | — | — | 2.33 |
| No. 0 | unknown | — | — | — | 2.30 |
| P1 (No. 1) | Triclinic | — | — | — | 2.22 |
Applications
Where LiAlSi2H2O7 is used.
Frequently Asked Questions
Common questions about LiAlSi2H2O7, answered from cross-validated data.
What is LiAlSi2H2O7?
LiAlSi2H2O7 is a lithium-containing aluminosilicate framework material characterized by its insulating electronic properties and potential for laboratory synthesis.
What is LiAlSi2H2O7 used for?
What is the band gap of LiAlSi2H2O7?
Is LiAlSi2H2O7 a metal, semiconductor, or insulator?
Is LiAlSi2H2O7 thermodynamically stable?
What is the crystal structure of LiAlSi2H2O7?
What is the density of LiAlSi2H2O7?
How many polymorphs of LiAlSi2H2O7 are known?
What elements does LiAlSi2H2O7 contain?
Where does the data for LiAlSi2H2O7 come from?
How It Compares
Within the aluminosilicates and zeolite frameworks class.
Within the broad family of aluminosilicates and zeolite-like frameworks, LiAlSi2H2O7 occupies a distinct niche compared to more common geological minerals like NaAlSi3O8 or Al2SiO5. While siblings such as LiAlSiO4 are well-documented in battery and ceramic research, this specific lithium-aluminosilicate hydrate offers a unique structural configuration that differentiates it from the more rigid, anhydrous frameworks found in the class.
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).
- mpaloe — Data from mpaloe.
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