Na3ClO

Na3ClO is a thermodynamically stable, semiconducting inorganic compound composed of sodium, chlorine, and oxygen.

ClNaO
Crystal structure of Na3ClO (cubic, Pm-3m (No. 221))
Ground-state structure · Materials Project
Overview

About Na3ClO

Na3ClO is a distinct inorganic compound composed of sodium, chlorine, and oxygen. As a thermodynamically stable material situated on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions.

Exhibiting semiconducting electronic characteristics, this compound is a subject of interest for researchers investigating novel solid-state materials. Its existence across multiple structural configurations highlights its versatility and the complexity of its chemical landscape.

At a glance

Key Properties

Cross-validated computational properties for Na3ClO, aggregated across 3 databases.

Band Gap

2.03 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Na3ClO, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pm-3m (No. 221)cubic2.030.0000-3.8622.26
Pm-3m (No. 221)
Pm-3m (No. 221)Cubic2.21
Pm-3m (No. 221)Cubic2.14
Pm-3m (No. 221)Cubic2.24
Pm-3m (No. 221)
Reference

Frequently Asked Questions

Common questions about Na3ClO, answered from cross-validated data.

What is Na3ClO?

Na3ClO is a thermodynamically stable, semiconducting inorganic compound composed of sodium, chlorine, and oxygen.

More questions
What is the band gap of Na3ClO?
Na3ClO has a DFT-computed band gap of 2.03 eV across 6 reported structures.
Is Na3ClO a metal, semiconductor, or insulator?
With a band gap up to 2.03 eV it is a semiconductor.
Is Na3ClO thermodynamically stable?
Yes — Na3ClO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na3ClO?
The lowest-energy reported polymorph of Na3ClO is cubic symmetry, space group Pm-3m (No. 221).
What is the density of Na3ClO?
The computed density of the ground-state structure of Na3ClO is 2.26 g/cm³.
How many polymorphs of Na3ClO are known?
6 structures of Na3ClO are reported across 3 databases, spanning 1 distinct space group.
What elements does Na3ClO contain?
Na3ClO contains Cl, Na, and O (3 elements).
Where does the data for Na3ClO come from?
Na3ClO data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a unique phase within its chemical system, Na3ClO serves as a foundational reference point for studying the interplay between alkali metals and oxyhalides, providing a stable baseline for exploring related ternary compounds.

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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