NaCO3

NaCO3 is a thermodynamically stable semiconducting compound composed of sodium, carbon, and oxygen.

CNaO
Crystal structure of NaCO3
Ground-state structure · Materials Project
Overview

About NaCO3

NaCO3 is a thermodynamically stable compound that sits directly on the convex hull, indicating a highly favorable energetic state. As a semiconducting material, it offers unique electronic characteristics that distinguish it from typical ionic carbonates.

With multiple reported structures across various databases, this material is a subject of significant interest for researchers mapping the landscape of sodium-based compounds. Its stability and electronic nature make it a compelling candidate for further investigation in specialized solid-state applications.

At a glance

Key Properties

Cross-validated computational properties for NaCO3, aggregated across 4 databases.

Band Gap

0.67 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
4 databases, 3 space groups
Reference

Frequently Asked Questions

Common questions about NaCO3, answered from cross-validated data.

What is NaCO3?

NaCO3 is a thermodynamically stable semiconducting compound composed of sodium, carbon, and oxygen.

More questions
What is the band gap of NaCO3?
NaCO3 has a DFT-computed band gap of 0.67 eV across 10 reported structures.
Is NaCO3 a metal, semiconductor, or insulator?
With a band gap up to 0.67 eV it is a semiconductor.
Is NaCO3 thermodynamically stable?
Yes — NaCO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NaCO3 are known?
10 structures of NaCO3 are reported across 4 databases, spanning 3 distinct space groups.
What elements does NaCO3 contain?
NaCO3 contains C, Na, and O (3 elements).
Where does the data for NaCO3 come from?
NaCO3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct inorganic compound, NaCO3 represents a unique entry in the chemical space of sodium carbonates. While many related materials are primarily ionic insulators, the semiconducting character of this specific phase provides a different pathway for electronic interaction, positioning it as an intriguing subject for fundamental materials research.

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

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