Na2Si3O7
Na2Si3O7 is a stable, insulating sodium silicate compound that is a subject of interest for structural research and ceramic material development.
About Na2Si3O7
Na2Si3O7 is a complex sodium silicate compound characterized by its wide-band-gap insulating electronic nature. As a material that sits near the thermodynamic hull, it represents a stable configuration that is considered highly likely to be synthesizable for experimental investigation.
This compound is of significant interest in materials science due to its structural diversity, with multiple reported structural variations across databases. Its insulating behavior and stable composition make it a candidate for studies involving glass formation and advanced ceramic material development.
Key Properties
Cross-validated computational properties for Na2Si3O7, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Na2Si3O7. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Na2Si3O7, 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. |
|---|---|---|---|---|---|
| — | — | 4.80 | 0.0061 | -2.845 | — |
| — | — | 4.74 | 0.0163 | -2.835 | — |
| P21/c (No. 14) | monoclinic | 4.30 | 0.0204 | -7.441 | 2.39 |
| C2/c (No. 15) | monoclinic | 5.13 | 0.0570 | -2.668 | — |
| — | — | 5.17 | 0.0881 | -2.763 | — |
| C2/c (No. 15) | monoclinic | 4.69 | 0.0940 | -7.368 | 3.18 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.49 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.30 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.27 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.18 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.39 |
| — | — | — | — | — | 2.46 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Na2Si3O7.
Applications
Where Na2Si3O7 is used.
Frequently Asked Questions
Common questions about Na2Si3O7, answered from cross-validated data.
What is Na2Si3O7?
Na2Si3O7 is a stable, insulating sodium silicate compound that is a subject of interest for structural research and ceramic material development.
What is Na2Si3O7 used for?
What is the band gap of Na2Si3O7?
Is Na2Si3O7 a metal, semiconductor, or insulator?
Is Na2Si3O7 thermodynamically stable?
What is the crystal structure of Na2Si3O7?
What is the density of Na2Si3O7?
How many polymorphs of Na2Si3O7 are known?
How is Na2Si3O7 synthesized?
What elements does Na2Si3O7 contain?
Where does the data for Na2Si3O7 come from?
How It Compares
As a specific composition within the sodium silicate family, Na2Si3O7 serves as a key reference point for understanding the structural evolution of silicate networks. It occupies a distinct position in the phase space where structural complexity meets thermodynamic stability, providing a clear benchmark for researchers exploring the synthesis of alkali-rich silicate phases.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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