Na4SiO4

sodium orthosilicate · orthosilicic acid sodium salt

Sodium orthosilicate is a stable, insulating inorganic compound commonly utilized as a chemical precursor.

NaOSi
Crystal structure of Na4SiO4 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for sodium orthosilicate, aggregated across 3 databases.

Band Gap

3.22 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Na4SiO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic3.220.0000-5.7802.71
P-1 (No. 2)
P-1 (No. 2)Triclinic2.70
P-1 (No. 2)Triclinic2.57
P-1 (No. 2)Triclinic2.64
Uses

Applications

Where sodium orthosilicate is used.

chemical synthesis precursorindustrial cleaning agentsdetergent formulationcatalyst support research
Reference

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.

More questions
What is Na4SiO4 used for?
sodium orthosilicate (Na4SiO4) is used in chemical synthesis precursor, industrial cleaning agents, detergent formulation, and catalyst support research.
What is the band gap of Na4SiO4?
sodium orthosilicate (Na4SiO4) has a DFT-computed band gap of 3.22 eV across 5 reported structures.
Is Na4SiO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.22 eV it is an insulator / wide-band-gap material.
Is Na4SiO4 thermodynamically stable?
Yes — sodium orthosilicate (Na4SiO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na4SiO4?
The lowest-energy reported polymorph of sodium orthosilicate (Na4SiO4) is triclinic symmetry, space group P-1 (No. 2).
What is the density of Na4SiO4?
The computed density of the ground-state structure of sodium orthosilicate (Na4SiO4) is 2.71 g/cm³.
How many polymorphs of Na4SiO4 are known?
5 structures of Na4SiO4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Na4SiO4 contain?
sodium orthosilicate (Na4SiO4) contains Na, O, and Si (3 elements).
Where does the data for Na4SiO4 come from?
Na4SiO4 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

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
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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