NaCO2

NaCO2 is a wide-band-gap insulating compound containing sodium, carbon, and oxygen that shows potential for experimental synthesis due to its thermodynamic stability.

CNaO
Crystal structure of NaCO2
Ground-state structure · Materials Project
Overview

About NaCO2

NaCO2 is an insulating compound composed of sodium, carbon, and oxygen. As a wide-band-gap material, it exhibits distinct electronic characteristics that make it a subject of interest for fundamental materials science studies. Its structural configuration and chemical nature suggest it occupies a unique space within inorganic chemistry. The compound is characterized by its near-hull thermodynamic stability, indicating that it is a viable candidate for experimental synthesis. With multiple reported structures across various databases, it represents a data-rich material that offers significant opportunities for researchers investigating new solid-state phases.

At a glance

Key Properties

Cross-validated computational properties for NaCO2, aggregated across 4 databases.

Band Gap

0.06–3.41 eV
Range across DFT structures

Energy Above Hull

0.007 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

12
4 databases, 4 space groups
Reference

Frequently Asked Questions

Common questions about NaCO2, answered from cross-validated data.

What is NaCO2?

NaCO2 is a wide-band-gap insulating compound containing sodium, carbon, and oxygen that shows potential for experimental synthesis due to its thermodynamic stability.

More questions
What is the band gap of NaCO2?
NaCO2 has a DFT-computed band gap of 0.06–3.41 eV across 12 reported structures.
Is NaCO2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.41 eV it is an insulator / wide-band-gap material.
Is NaCO2 thermodynamically stable?
NaCO2 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
How many polymorphs of NaCO2 are known?
12 structures of NaCO2 are reported across 4 databases, spanning 4 distinct space groups.
What elements does NaCO2 contain?
NaCO2 contains C, Na, and O (3 elements).
Where does the data for NaCO2 come from?
NaCO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in its current classification, NaCO2 serves as a foundational example of sodium-based carbon-oxygen frameworks. Its near-hull stability distinguishes it as a promising target for synthesis compared to more unstable theoretical phases, positioning it as a key reference point for future studies into similar ternary inorganic systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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