Cl4Na4O12
Cl4Na4O12 is a metastable, wide-gap insulating inorganic compound containing chlorine, sodium, and oxygen.
About Cl4Na4O12
Cl4Na4O12 is a complex inorganic compound composed of chlorine, sodium, and oxygen. As a wide-gap insulating material, it exhibits distinct electronic characteristics that make it a subject of interest for fundamental solid-state studies and structural analysis.
Despite its metastable nature, the compound has been documented across multiple structural databases, reflecting significant interest in its atomic arrangement. Its unique composition provides a platform for investigating the interplay between halogen and alkali metal coordination in oxygen-rich environments.
Key Properties
Cross-validated computational properties for Cl4Na4O12, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Cl4Na4O12, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 6.31 | 0.0299 | -4.691 | 2.58 |
| P213 (No. 198) | cubic | 5.63 | 0.0348 | -4.686 | 2.36 |
| P213 (No. 198) | cubic | 5.71 | 0.0685 | -4.652 | 1.86 |
| P1 (No. 1) | triclinic | 1.20 | 0.4131 | -4.308 | 1.35 |
| P1 (No. 1) | triclinic | 0.00 | 0.5105 | -4.210 | 1.82 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.5728 | -4.148 | 1.97 |
| R3 (No. 146) | trigonal | 0.62 | 0.7019 | -4.019 | 1.57 |
| P213 (No. 198) | — | — | — | — | — |
| P213 (No. 198) | — | — | — | — | — |
| P213 (No. 198) | — | — | — | — | — |
| P213 (No. 198) | — | — | — | — | — |
| P213 (No. 198) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cl4Na4O12, answered from cross-validated data.
What is Cl4Na4O12?
Cl4Na4O12 is a metastable, wide-gap insulating inorganic compound containing chlorine, sodium, and oxygen.
What is the band gap of Cl4Na4O12?
Is Cl4Na4O12 a metal, semiconductor, or insulator?
Is Cl4Na4O12 thermodynamically stable?
What is the crystal structure of Cl4Na4O12?
What is the density of Cl4Na4O12?
How many polymorphs of Cl4Na4O12 are known?
What elements does Cl4Na4O12 contain?
Where does the data for Cl4Na4O12 come from?
How It Compares
As a unique inorganic phase, Cl4Na4O12 represents a distinct structural configuration within the broader landscape of sodium-chlorine-oxygen compounds, serving as a reference point for understanding metastability in 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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