Al2H2Na4O18Si6
Natrolite · Na2Al2Si3O10·2H2O
Natrolite is a tectosilicate mineral belonging to the zeolite group. It is widely recognized for its ability to act as a molecular sieve and ion exchanger due to its porous crystalline structure.
Overview
Key Properties
Cross-validated computational properties for Natrolite, 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.
4.67 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al2H2Na4O18Si6, 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 | 4.67 | 0.0000 | -7.350 | 2.42 |
| No. 0 | unknown | — | — | — | 1.26 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.27 |
| P-1 (No. 2) | — | — | — | — | — |
Uses
Applications
Where Natrolite is used.
Water softeningGas separationCatalysisEnvironmental remediationMineral specimen collecting
Reference
Frequently Asked Questions
Common questions about Natrolite, answered from cross-validated data.
What is Al2H2Na4O18Si6?
Natrolite is a tectosilicate mineral belonging to the zeolite group. It is widely recognized for its ability to act as a molecular sieve and ion exchanger due to its porous crystalline structure.
More questions
What is Al2H2Na4O18Si6 used for?
Natrolite (Al2H2Na4O18Si6) is used in water softening, gas separation, catalysis, environmental remediation, and mineral specimen collecting.
What is the band gap of Al2H2Na4O18Si6?
Natrolite (Al2H2Na4O18Si6) has a DFT-computed band gap of 4.67 eV across 5 reported structures.
Is Al2H2Na4O18Si6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.67 eV it is an insulator / wide-band-gap material.
Is Al2H2Na4O18Si6 thermodynamically stable?
Yes — Natrolite (Al2H2Na4O18Si6) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al2H2Na4O18Si6?
The lowest-energy reported polymorph of Natrolite (Al2H2Na4O18Si6) is triclinic symmetry, space group P-1 (No. 2).
What is the density of Al2H2Na4O18Si6?
The computed density of the ground-state structure of Natrolite (Al2H2Na4O18Si6) is 2.42 g/cm³.
How many polymorphs of Al2H2Na4O18Si6 are known?
5 structures of Al2H2Na4O18Si6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Al2H2Na4O18Si6 contain?
Natrolite (Al2H2Na4O18Si6) contains Al, H, Na, O, and Si (5 elements).
Where does the data for Al2H2Na4O18Si6 come from?
Al2H2Na4O18Si6 data is cross-referenced from materials_project, cod, aflow.
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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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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