C8Cl4Mg4Na12O24

C8Cl4Mg4Na12O24 is a thermodynamically stable, insulating inorganic compound composed of carbon, chlorine, magnesium, sodium, and oxygen.

CClMgNaO
Crystal structure of C8Cl4Mg4Na12O24 (cubic, Fd-3 (No. 203))
Ground-state structure · Materials Project
Overview

About C8Cl4Mg4Na12O24

C8Cl4Mg4Na12O24 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a material residing on the convex hull, it represents a robust phase within its compositional space, offering structural integrity for advanced chemical research.

Its unique combination of carbon, chlorine, magnesium, sodium, and oxygen suggests a highly specialized role in materials science. The compound is notable for its structural diversity, supported by multiple reported configurations that highlight its versatile bonding environment.

At a glance

Key Properties

Cross-validated computational properties for C8Cl4Mg4Na12O24, aggregated across 3 databases.

Band Gap

3.81–4.23 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, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for C8Cl4Mg4Na12O24, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fd-3 (No. 203)cubic4.230.0000-6.5212.42
Fd-3m (No. 227)cubic3.810.0131-6.5072.36
Fd-3 (No. 203)
Fd-3 (No. 203)
2.10
Fd-3m (No. 227)
Reference

Frequently Asked Questions

Common questions about C8Cl4Mg4Na12O24, answered from cross-validated data.

What is C8Cl4Mg4Na12O24?

C8Cl4Mg4Na12O24 is a thermodynamically stable, insulating inorganic compound composed of carbon, chlorine, magnesium, sodium, and oxygen.

More questions
What is the band gap of C8Cl4Mg4Na12O24?
C8Cl4Mg4Na12O24 has a DFT-computed band gap of 3.81–4.23 eV across 6 reported structures.
Is C8Cl4Mg4Na12O24 a metal, semiconductor, or insulator?
With a wide band gap up to 4.23 eV it is an insulator / wide-band-gap material.
Is C8Cl4Mg4Na12O24 thermodynamically stable?
Yes — C8Cl4Mg4Na12O24 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of C8Cl4Mg4Na12O24?
The lowest-energy reported polymorph of C8Cl4Mg4Na12O24 is cubic symmetry, space group Fd-3 (No. 203).
What is the density of C8Cl4Mg4Na12O24?
The computed density of the ground-state structure of C8Cl4Mg4Na12O24 is 2.42 g/cm³.
How many polymorphs of C8Cl4Mg4Na12O24 are known?
6 structures of C8Cl4Mg4Na12O24 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C8Cl4Mg4Na12O24 contain?
C8Cl4Mg4Na12O24 contains C, Cl, Mg, Na, and O (5 elements).
Where does the data for C8Cl4Mg4Na12O24 come from?
C8Cl4Mg4Na12O24 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a distinct inorganic phase, C8Cl4Mg4Na12O24 serves as a benchmark for stability within its chemical class. Unlike less stable, metastable counterparts that may require specific synthesis conditions, this compound remains a reliable reference point for structural analysis and theoretical modeling of complex ionic lattices.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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