LiAlSi3O8
LiAlSi3O8 is a metastable lithium-containing aluminosilicate framework known for its insulating properties and structural complexity.
About LiAlSi3O8
LiAlSi3O8 is a complex aluminosilicate that exists as a metastable framework within the broader family of silicate minerals. Its insulating electronic character and rigid structural arrangement make it a subject of interest for researchers investigating the stability of lithium-bearing frameworks in diverse geochemical and synthetic environments. As a member of the aluminosilicate class, it demonstrates the structural versatility inherent in silicon-aluminum-oxygen networks. The compound is primarily studied for its potential role in high-temperature phase transitions and its relationship to other framework silicates that define the Earth's crustal composition. Its existence across multiple structural configurations highlights the complexity of lithium incorporation within these dense mineral frameworks.
Key Properties
Cross-validated computational properties for LiAlSi3O8, 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 LiAlSi3O8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 5.42 | 0.0277 | -7.943 | 2.57 |
| P-1 (No. 2) | triclinic | 0.00 | 4.6219 | -3.349 | 2.57 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.57 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.72 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.64 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where LiAlSi3O8 is used.
Frequently Asked Questions
Common questions about LiAlSi3O8, answered from cross-validated data.
What is LiAlSi3O8?
LiAlSi3O8 is a metastable lithium-containing aluminosilicate framework known for its insulating properties and structural complexity.
What is LiAlSi3O8 used for?
What is the band gap of LiAlSi3O8?
Is LiAlSi3O8 a metal, semiconductor, or insulator?
Is LiAlSi3O8 thermodynamically stable?
What is the crystal structure of LiAlSi3O8?
What is the density of LiAlSi3O8?
How many polymorphs of LiAlSi3O8 are known?
What elements does LiAlSi3O8 contain?
Where does the data for LiAlSi3O8 come from?
How It Compares
Within the aluminosilicates and zeolite frameworks class.
Within the diverse class of aluminosilicates, LiAlSi3O8 occupies a distinct position compared to more common framework minerals like NaAlSi3O8. While NaAlSi3O8 is a stable, abundant rock-forming mineral, LiAlSi3O8 is characterized by its metastable nature, reflecting the unique coordination requirements of lithium compared to larger alkali cations. It shares a structural lineage with LiAlSiO4, yet its higher silicon content differentiates its thermodynamic profile and potential applications in material science from the more compact, dense structures found in minerals like Al2SiO5.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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