Na4O22Si8Zr2
Na4O22Si8Zr2 is a stable, insulating sodium zirconium silicate compound characterized by its complex structural architecture.
About Na4O22Si8Zr2
Na4O22Si8Zr2 is a complex silicate compound containing sodium and zirconium. As a wide-band-gap insulator, it exhibits robust electronic properties that make it a subject of interest for fundamental materials research.
This material is thermodynamically stable, residing on the convex hull of its constituent elements. Its structural complexity is evidenced by multiple reported configurations across various databases, highlighting its potential for diverse crystalline arrangements.
Key Properties
Cross-validated computational properties for Na4O22Si8Zr2, 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 Na4O22Si8Zr2, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 4.58 | 0.0000 | -8.047 | 2.88 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 2.64 |
Applications
Where Na4O22Si8Zr2 is used.
Frequently Asked Questions
Common questions about Na4O22Si8Zr2, answered from cross-validated data.
What is Na4O22Si8Zr2?
Na4O22Si8Zr2 is a stable, insulating sodium zirconium silicate compound characterized by its complex structural architecture.
What is Na4O22Si8Zr2 used for?
What is the band gap of Na4O22Si8Zr2?
Is Na4O22Si8Zr2 a metal, semiconductor, or insulator?
Is Na4O22Si8Zr2 thermodynamically stable?
What is the crystal structure of Na4O22Si8Zr2?
What is the density of Na4O22Si8Zr2?
How many polymorphs of Na4O22Si8Zr2 are known?
What elements does Na4O22Si8Zr2 contain?
Where does the data for Na4O22Si8Zr2 come from?
How It Compares
As a unique silicate with a distinct stoichiometry, this compound serves as a reference point for understanding the interplay between alkali metals and zirconium within complex oxide frameworks. Its stability and insulating nature position it as a foundational example for investigating how zirconosilicate structures accommodate varying chemical environments.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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