Li2Al2Si4O13
Li2Al2Si4O13 is a semiconducting aluminosilicate framework that exists as a metastable phase within the broader family of zeolite-like materials.
About Li2Al2Si4O13
Li2Al2Si4O13 is a complex aluminosilicate characterized by its semiconducting electronic nature. As a member of the zeolite framework family, it represents a specialized structural arrangement of aluminum, silicon, and oxygen atoms coordinated with lithium ions. Its structural diversity is highlighted by multiple reported configurations in materials databases. Despite its interesting electronic properties, this compound is identified as being thermodynamically unstable relative to other phases in its chemical space. Its existence as a metastable phase makes it a subject of interest for researchers studying the formation pathways and structural limits of complex silicate frameworks.
Key Properties
Cross-validated computational properties for Li2Al2Si4O13, 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 Li2Al2Si4O13, 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 | 0.30 | 0.1212 | -7.589 | 2.10 |
| P1 (No. 1) | Triclinic | — | — | — | 2.10 |
| P1 (No. 1) | Triclinic | — | — | — | 2.21 |
| P1 (No. 1) | Triclinic | — | — | — | 2.15 |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Li2Al2Si4O13 is used.
Frequently Asked Questions
Common questions about Li2Al2Si4O13, answered from cross-validated data.
What is Li2Al2Si4O13?
Li2Al2Si4O13 is a semiconducting aluminosilicate framework that exists as a metastable phase within the broader family of zeolite-like materials.
What is Li2Al2Si4O13 used for?
What is the band gap of Li2Al2Si4O13?
Is Li2Al2Si4O13 a metal, semiconductor, or insulator?
Is Li2Al2Si4O13 thermodynamically stable?
What is the crystal structure of Li2Al2Si4O13?
What is the density of Li2Al2Si4O13?
How many polymorphs of Li2Al2Si4O13 are known?
What elements does Li2Al2Si4O13 contain?
Where does the data for Li2Al2Si4O13 come from?
How It Compares
Within the aluminosilicates and zeolite frameworks class.
Within the broad class of aluminosilicates, Li2Al2Si4O13 occupies a distinct position compared to more common, naturally occurring minerals like Al2SiO5 or NaAlSi3O8. While many of its siblings, such as KAlSiO4 or LiAlSiO4, exhibit robust thermodynamic stability and widespread geological occurrence, this lithium-rich variant sits above the hull, suggesting that it is less likely to form spontaneously under standard conditions compared to the highly stable framework of Mg2Al4Si5O18.
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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