Na6O24P2Si4Zr4
Na6O24P2Si4Zr4 is a stable, insulating NASICON-type material used in the development of solid-state electrolyte components for energy storage.
About Na6O24P2Si4Zr4
Na6O24P2Si4Zr4 is a complex inorganic compound belonging to the NASICON-type electrolyte family. Characterized by its wide-band-gap insulating nature, this material is engineered for ionic conductivity while maintaining structural integrity within electrochemical systems.
As a thermodynamically stable phase residing on the convex hull, this compound offers robust chemical durability. Its unique structural arrangement makes it a subject of significant interest for researchers developing next-generation solid-state energy storage technologies that require stable, non-conductive frameworks.
Key Properties
Cross-validated computational properties for Na6O24P2Si4Zr4, aggregated across 2 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 Na6O24P2Si4Zr4, 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 | 4.54 | 0.0000 | -7.984 | 3.12 |
| P1 (No. 1) | triclinic | 4.49 | 0.0038 | -7.980 | 3.13 |
| P1 (No. 1) | triclinic | 0.00 | 0.0059 | -7.978 | 3.12 |
| P1 (No. 1) | triclinic | 4.45 | 0.0061 | -7.978 | 3.11 |
| P1 (No. 1) | triclinic | 4.50 | 0.0076 | -7.976 | 3.13 |
| P1 (No. 1) | triclinic | 4.37 | 0.0096 | -7.974 | 3.13 |
| P1 (No. 1) | triclinic | 0.00 | 0.0102 | -7.974 | 3.09 |
| Cc (No. 9) | monoclinic | 4.34 | 0.0126 | -7.971 | 3.14 |
| Cc (No. 9) | monoclinic | 4.36 | 0.0131 | -7.971 | 3.15 |
| C2 (No. 5) | monoclinic | 4.38 | 0.0152 | -7.969 | 3.16 |
| P1 (No. 1) | triclinic | 4.23 | 0.0166 | -7.967 | 3.18 |
| P1 (No. 1) | triclinic | 4.42 | 0.0181 | -7.966 | 3.11 |
Applications
Where Na6O24P2Si4Zr4 is used.
Frequently Asked Questions
Common questions about Na6O24P2Si4Zr4, answered from cross-validated data.
What is Na6O24P2Si4Zr4?
Na6O24P2Si4Zr4 is a stable, insulating NASICON-type material used in the development of solid-state electrolyte components for energy storage.
What is Na6O24P2Si4Zr4 used for?
What is the band gap of Na6O24P2Si4Zr4?
Is Na6O24P2Si4Zr4 a metal, semiconductor, or insulator?
Is Na6O24P2Si4Zr4 thermodynamically stable?
What is the crystal structure of Na6O24P2Si4Zr4?
What is the density of Na6O24P2Si4Zr4?
How many polymorphs of Na6O24P2Si4Zr4 are known?
What elements does Na6O24P2Si4Zr4 contain?
Where does the data for Na6O24P2Si4Zr4 come from?
How It Compares
Within the nasicon-type electrolytes class.
Within the diverse NASICON-type class, Na6O24P2Si4Zr4 distinguishes itself through its specific elemental composition compared to titanium-based variants like Na4O20P4Ti4 or Na10O26P2Si4Ti4. While many members of this class are heavily studied for their lithium-ion mobility, such as LiTiP2O7, this zirconium-containing silicate framework provides a unique alternative architecture for ion transport and structural stability.
Related Compounds
Other NASICON-Type Electrolytes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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