NaBO2

sodium metaborate · sodium borate

Sodium metaborate is a stable, insulating inorganic salt widely used as a chemical intermediate and fluxing agent.

BNaO
Crystal structure of NaBO2 (trigonal, R-3c (No. 167))
Ground-state structure · Materials Project
Overview

About sodium metaborate

Sodium metaborate is a thermodynamically stable inorganic compound characterized by its wide-gap insulating electronic structure. As a member of the borate family, it exhibits significant structural versatility, with numerous distinct crystalline arrangements documented across materials databases.

This compound serves as a critical precursor in various chemical synthesis pathways and industrial applications. Its inherent stability makes it a reliable component in high-temperature processes and material formulations where insulating properties are required.

At a glance

Key Properties

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

Band Gap

4.10 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

8
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for NaBO2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3c (No. 167)trigonal4.100.0000-7.0872.57
R-3c (No. 167)
R-3c (No. 167)
R-3c (No. 167)Trigonal2.40
R-3m (No. 166)
P4mm (No. 99)
R-3c (No. 167)Trigonal2.50
R-3c (No. 167)Trigonal2.44
Uses

Applications

Where sodium metaborate is used.

Chemical synthesis precursorFluxing agent in glass and ceramic productionComponent in borate-based detergentsCorrosion inhibitor formulations
Reference

Frequently Asked Questions

Common questions about sodium metaborate, answered from cross-validated data.

What is NaBO2?

Sodium metaborate is a stable, insulating inorganic salt widely used as a chemical intermediate and fluxing agent.

More questions
What is NaBO2 used for?
sodium metaborate (NaBO2) is used in chemical synthesis precursor, fluxing agent in glass and ceramic production, component in borate-based detergents, and corrosion inhibitor formulations.
What is the band gap of NaBO2?
sodium metaborate (NaBO2) has a DFT-computed band gap of 4.10 eV across 8 reported structures.
Is NaBO2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.10 eV it is an insulator / wide-band-gap material.
Is NaBO2 thermodynamically stable?
Yes — sodium metaborate (NaBO2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaBO2?
The lowest-energy reported polymorph of sodium metaborate (NaBO2) is trigonal symmetry, space group R-3c (No. 167).
What is the density of NaBO2?
The computed density of the ground-state structure of sodium metaborate (NaBO2) is 2.57 g/cm³.
How many polymorphs of NaBO2 are known?
8 structures of NaBO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does NaBO2 contain?
sodium metaborate (NaBO2) contains B, Na, and O (3 elements).
Where does the data for NaBO2 come from?
NaBO2 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a fundamental borate, sodium metaborate acts as a primary reference point for understanding the structural and electronic behavior of alkali metal borates. Its position on the convex hull underscores its role as a stable building block within the broader landscape of borate-based materials.

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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