Na2ZrSi2O7
Na2ZrSi2O7 is a thermodynamically stable, wide-gap insulating silicate compound containing sodium and zirconium.
About Na2ZrSi2O7
Na2ZrSi2O7 is a thermodynamically stable inorganic compound composed of sodium, zirconium, silicon, and oxygen. As a robust silicate material, it resides on the convex hull, indicating high structural integrity under standard conditions. Its electronic character is defined by a wide band gap, classifying it as an insulator with potential utility in specialized dielectric or optical applications. The compound exhibits structural diversity, with multiple reported configurations that highlight its versatile coordination environment. These features make it a subject of interest for researchers investigating stable, insulating framework materials for high-performance technological use cases.
Key Properties
Cross-validated computational properties for Na2ZrSi2O7, 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.
Applications
Where Na2ZrSi2O7 is used.
Frequently Asked Questions
Common questions about Na2ZrSi2O7, answered from cross-validated data.
What is Na2ZrSi2O7?
Na2ZrSi2O7 is a thermodynamically stable, wide-gap insulating silicate compound containing sodium and zirconium.
What is Na2ZrSi2O7 used for?
What is the band gap of Na2ZrSi2O7?
Is Na2ZrSi2O7 a metal, semiconductor, or insulator?
Is Na2ZrSi2O7 thermodynamically stable?
How many polymorphs of Na2ZrSi2O7 are known?
What elements does Na2ZrSi2O7 contain?
Where does the data for Na2ZrSi2O7 come from?
How It Compares
As a stable silicate framework, Na2ZrSi2O7 serves as a representative example of how zirconium-based silicates can achieve thermodynamic stability. While it stands as a distinct structural entity, it contributes to the broader understanding of how alkali-metal zirconium silicates maintain insulating properties across varied crystalline arrangements.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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