LiAlSi2O7
LiAlSi2O7 is a semiconducting aluminosilicate framework compound that exists as a metastable phase within the broader family of silicate minerals.
About LiAlSi2O7
LiAlSi2O7 is a complex aluminosilicate framework compound characterized by its semiconducting electronic nature. As a member of the zeolite-related class, it represents a specific arrangement of aluminum, silicon, and oxygen atoms that forms the basis for potential functional materials in advanced ceramics and mineral science.
While this compound is documented with multiple structural variations, it is classified as thermodynamically unstable relative to its decomposition products. Its existence as a metastable phase makes it a subject of interest for researchers studying the synthesis pathways and structural evolution of lithium-bearing aluminosilicates.
Key Properties
Cross-validated computational properties for LiAlSi2O7, 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 LiAlSi2O7, 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 | 0.00 | 0.1614 | -7.423 | 2.19 |
| P1 (No. 1) | triclinic | 1.86 | 0.2961 | -7.288 | 2.15 |
| No. 0 | unknown | — | — | — | 2.27 |
| No. 0 | unknown | — | — | — | 2.28 |
| P1 (No. 1) | Triclinic | — | — | — | 2.27 |
| P1 (No. 1) | Triclinic | — | — | — | 2.19 |
| No. 0 | unknown | — | — | — | 2.42 |
| No. 0 | unknown | — | — | — | 2.26 |
| P1 (No. 1) | Triclinic | — | — | — | 2.43 |
Applications
Where LiAlSi2O7 is used.
Frequently Asked Questions
Common questions about LiAlSi2O7, answered from cross-validated data.
What is LiAlSi2O7?
LiAlSi2O7 is a semiconducting aluminosilicate framework compound that exists as a metastable phase within the broader family of silicate minerals.
What is LiAlSi2O7 used for?
What is the band gap of LiAlSi2O7?
Is LiAlSi2O7 a metal, semiconductor, or insulator?
Is LiAlSi2O7 thermodynamically stable?
What is the crystal structure of LiAlSi2O7?
What is the density of LiAlSi2O7?
How many polymorphs of LiAlSi2O7 are known?
What elements does LiAlSi2O7 contain?
Where does the data for LiAlSi2O7 come from?
How It Compares
Within the aluminosilicates and zeolite frameworks class.
Within the diverse group of aluminosilicates, LiAlSi2O7 occupies a distinct position compared to more stable, naturally occurring minerals like NaAlSi3O8 or Al2SiO5. Unlike these robust framework silicates that form the backbone of many geological structures, LiAlSi2O7 is less thermodynamically favorable, highlighting the unique challenges in stabilizing lithium-rich silicate architectures.
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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