Cl12Cr2Na6

Cl12Cr2Na6 is a semiconducting inorganic compound containing chromium and sodium that is considered likely to be synthesizable.

ClCrNa
Crystal structure of Cl12Cr2Na6
Ground-state structure · Materials Project
Overview

About Cl12Cr2Na6

Cl12Cr2Na6 is a complex inorganic compound composed of chlorine, chromium, and sodium. Its semiconducting electronic character makes it an intriguing subject for fundamental studies into how transition metal halides interact within a sodium-rich crystalline framework.

As a near-hull material, it is considered a prime candidate for experimental synthesis. The existence of multiple reported structures across databases highlights its structural diversity and the significant interest researchers have in characterizing its potential solid-state properties.

At a glance

Key Properties

Cross-validated computational properties for Cl12Cr2Na6, aggregated across 3 databases.

Band Gap

1.72 eV
Range across DFT structures

Energy Above Hull

0.003 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Cl12Cr2Na6 is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Cl12Cr2Na6, answered from cross-validated data.

What is Cl12Cr2Na6?

Cl12Cr2Na6 is a semiconducting inorganic compound containing chromium and sodium that is considered likely to be synthesizable.

More questions
What is Cl12Cr2Na6 used for?
Cl12Cr2Na6 is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of Cl12Cr2Na6?
Cl12Cr2Na6 has a DFT-computed band gap of 1.72 eV across 5 reported structures.
Is Cl12Cr2Na6 a metal, semiconductor, or insulator?
With a band gap up to 1.72 eV it is a semiconductor.
Is Cl12Cr2Na6 thermodynamically stable?
Cl12Cr2Na6 has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
How many polymorphs of Cl12Cr2Na6 are known?
5 structures of Cl12Cr2Na6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cl12Cr2Na6 contain?
Cl12Cr2Na6 contains Cl, Cr, and Na (3 elements).
Where does the data for Cl12Cr2Na6 come from?
Cl12Cr2Na6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As an unclassified material with no direct siblings provided, Cl12Cr2Na6 represents a unique structural archetype within the broader landscape of complex metal halides, serving as a distinct point of investigation for those exploring novel semiconducting phases.

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

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