Na4SiO4
sodium orthosilicate · orthosilicic acid sodium salt
Sodium orthosilicate is a stable, insulating inorganic compound commonly utilized as a chemical precursor.
About sodium orthosilicate
Sodium orthosilicate is a thermodynamically stable inorganic compound that exists as a wide-gap insulator. Its structural integrity is well-documented, with multiple reported configurations across major materials databases, highlighting its significance in fundamental solid-state chemistry.
As a member of the silicate family, this compound serves as a critical precursor in various chemical synthesis pathways. Its insulating electronic character and stability make it a reliable subject for research into silicate-based materials and their interactions in complex chemical environments.
Key Properties
Cross-validated computational properties for sodium orthosilicate, 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 Na4SiO4. 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 Na4SiO4, 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 | 3.50 | 0.0000 | -2.259 | — |
| P-1 (No. 2) | triclinic | 3.22 | 0.0000 | -5.780 | 2.71 |
| — | — | 3.60 | 0.0010 | -2.323 | — |
| — | — | 3.62 | 0.0026 | -2.321 | — |
| — | — | 3.62 | 0.0029 | -2.321 | — |
| — | — | 3.33 | 0.0155 | -2.308 | — |
| — | — | 3.38 | 0.0512 | -2.272 | — |
| — | — | 2.81 | 0.0580 | -2.266 | — |
| — | — | 3.65 | 0.0691 | -2.255 | — |
| P-1 (No. 2) | triclinic | — | — | — | 2.67 |
| P-1 (No. 2) | triclinic | — | — | — | 2.64 |
| P-1 (No. 2) | triclinic | — | — | — | 2.57 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Na4SiO4.
Applications
Where sodium orthosilicate is used.
Frequently Asked Questions
Common questions about sodium orthosilicate, answered from cross-validated data.
What is Na4SiO4?
Sodium orthosilicate is a stable, insulating inorganic compound commonly utilized as a chemical precursor.
What is Na4SiO4 used for?
What is the band gap of Na4SiO4?
Is Na4SiO4 a metal, semiconductor, or insulator?
Is Na4SiO4 thermodynamically stable?
What is the crystal structure of Na4SiO4?
How many polymorphs of Na4SiO4 are known?
How is Na4SiO4 synthesized?
What elements does Na4SiO4 contain?
Where does the data for Na4SiO4 come from?
How It Compares
As a distinct silicate, Na4SiO4 represents a fundamental building block in the study of alkali metal silicates. It serves as a primary reference point for understanding the structural behavior and thermodynamic stability of orthosilicate frameworks in the absence of more complex dopants or additives.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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.
Analyze Na4SiO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →