Al2Na2O16Si6
Al2Na2O16Si6 has a DFT band gap of 0.40–5.06 eV across 16 reported structures in 3 space groups; its lowest-energy polymorph is triclinic (P-1 (No. 2)). Cross-validated across 3 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Al2Na2O16Si6, 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.
0.40–5.06 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.
16
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al2Na2O16Si6, 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 | 4.89 | 0.0000 | -7.900 | 2.64 |
| Pc (No. 7) | monoclinic | 5.00 | 0.0037 | -7.897 | 2.48 |
| P-1 (No. 2) | triclinic | 5.06 | 0.0063 | -7.894 | 2.49 |
| P-1 (No. 2) | triclinic | 0.40 | 4.2055 | -3.695 | 2.50 |
| P-1 (No. 2) | triclinic | 0.00 | 7.2231 | -0.677 | 2.50 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.66 |
| No. 0 | unknown | — | — | — | 0.65 |
| No. 0 | unknown | — | — | — | 0.64 |
| No. 0 | unknown | — | — | — | 0.66 |
| No. 0 | unknown | — | — | — | 0.72 |
| No. 0 | unknown | — | — | — | 0.76 |
Reference
Frequently Asked Questions
Common questions about Al2Na2O16Si6, answered from cross-validated data.
What is the band gap of Al2Na2O16Si6?
Al2Na2O16Si6 has a DFT-computed band gap of 0.40–5.06 eV across 16 reported structures.
More questions
Is Al2Na2O16Si6 a metal, semiconductor, or insulator?
With a wide band gap up to 5.06 eV it is an insulator / wide-band-gap material.
Is Al2Na2O16Si6 thermodynamically stable?
Yes — Al2Na2O16Si6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al2Na2O16Si6?
The lowest-energy reported polymorph of Al2Na2O16Si6 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Al2Na2O16Si6?
The computed density of the ground-state structure of Al2Na2O16Si6 is 2.64 g/cm³.
How many polymorphs of Al2Na2O16Si6 are known?
16 structures of Al2Na2O16Si6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Al2Na2O16Si6 contain?
Al2Na2O16Si6 contains Al, Na, O, and Si (4 elements).
Where does the data for Al2Na2O16Si6 come from?
Al2Na2O16Si6 data is cross-referenced from materials_project, aflow, cod.
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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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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