NaSbO3

NaSbO3 is a thermodynamically stable semiconducting oxide characterized by diverse structural forms.

NaOSb
Crystal structure of NaSbO3 (trigonal, R-3 (No. 148))
Ground-state structure · Materials Project
Overview

About NaSbO3

NaSbO3 is a thermodynamically stable oxide that resides on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers a unique electronic profile that makes it a subject of interest for researchers investigating complex inorganic frameworks.

With numerous reported structures across various databases, this compound demonstrates a high degree of structural flexibility. Its ability to adopt multiple configurations underscores its importance in the study of sodium-antimony-oxygen systems and their potential for functional applications.

At a glance

Key Properties

Cross-validated computational properties for NaSbO3, aggregated across 4 databases.

Band Gap

1.27–2.70 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

25
4 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for NaSbO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3 (No. 148)trigonal2.700.0000-6.1204.97
Pnna (No. 52)orthorhombic1.440.0368-6.0835.22
Fd-3m (No. 227)cubic1.470.0551-6.0654.57
P-1 (No. 2)triclinic2.240.0657-6.0544.50
Pnma (No. 62)orthorhombic1.270.0919-6.0285.42
Pnma (No. 62)Orthorhombic5.42
Fd-3m (No. 227)
Pnma (No. 62)
R-3 (No. 148)
Pnna (No. 52)Orthorhombic5.37
Fd-3m (No. 227)Cubic4.76
R-3 (No. 148)Trigonal4.71
Uses

Applications

Where NaSbO3 is used.

Materials science researchSolid-state chemistry studiesStructural phase analysis
Reference

Frequently Asked Questions

Common questions about NaSbO3, answered from cross-validated data.

What is NaSbO3?

NaSbO3 is a thermodynamically stable semiconducting oxide characterized by diverse structural forms.

More questions
What is NaSbO3 used for?
NaSbO3 is used in materials science research, solid-state chemistry studies, and structural phase analysis.
What is the band gap of NaSbO3?
NaSbO3 has a DFT-computed band gap of 1.27–2.70 eV across 25 reported structures.
Is NaSbO3 a metal, semiconductor, or insulator?
With a band gap up to 2.70 eV it is a semiconductor.
Is NaSbO3 thermodynamically stable?
Yes — NaSbO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaSbO3?
The lowest-energy reported polymorph of NaSbO3 is trigonal symmetry, space group R-3 (No. 148).
What is the density of NaSbO3?
The computed density of the ground-state structure of NaSbO3 is 4.97 g/cm³.
How many polymorphs of NaSbO3 are known?
25 structures of NaSbO3 are reported across 4 databases, spanning 6 distinct space groups.
What elements does NaSbO3 contain?
NaSbO3 contains Na, O, and Sb (3 elements).
Where does the data for NaSbO3 come from?
NaSbO3 data is cross-referenced from materials_project, mpaloe, jarvis, cod.
Comparison

How It Compares

As a distinct inorganic compound, NaSbO3 serves as a foundational example of stable ternary oxides within its chemical family, providing a benchmark for structural complexity and electronic behavior in the absence of other closely related siblings in this specific dataset.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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