NaC2

NaC2 is an unstable, semimetallic sodium-carbon compound characterized by a narrow electronic gap.

CNa
Crystal structure of NaC2
Ground-state structure · Materials Project
Overview

About NaC2

NaC2 is a binary compound composed of sodium and carbon that exhibits semimetallic electronic behavior. Its near-zero-gap nature suggests unique conductive properties that differentiate it from typical insulating or semiconducting carbon-based materials.

Due to its thermodynamic position above the hull, this compound is considered inherently unstable under standard conditions. Despite this, it remains a subject of interest in structural chemistry, with numerous reported configurations across various databases highlighting the complexity of the sodium-carbon system.

At a glance

Key Properties

Cross-validated computational properties for NaC2, aggregated across 3 databases.

Band Gap

0.02 eV
Range across DFT structures

Energy Above Hull

1.141 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

30
3 databases, 14 space groups
Reference

Frequently Asked Questions

Common questions about NaC2, answered from cross-validated data.

What is NaC2?

NaC2 is an unstable, semimetallic sodium-carbon compound characterized by a narrow electronic gap.

More questions
What is the band gap of NaC2?
NaC2 has a DFT-computed band gap of 0.02 eV across 30 reported structures.
Is NaC2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is NaC2 thermodynamically stable?
NaC2 has a lowest energy above hull of 1.141 eV/atom (above hull).
How many polymorphs of NaC2 are known?
30 structures of NaC2 are reported across 3 databases, spanning 14 distinct space groups.
What elements does NaC2 contain?
NaC2 contains C and Na (2 elements).
Where does the data for NaC2 come from?
NaC2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a sodium-carbon phase, NaC2 represents a specialized structural arrangement within the broader landscape of alkali metal carbides. While it lacks direct siblings in this specific dataset, it serves as a critical case study for understanding the challenges of synthesizing and stabilizing carbon-rich metallic compounds.

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

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