Cl4N4Zn8
Cl4N4Zn8 is a thermodynamically stable, semiconducting inorganic compound containing zinc, nitrogen, and chlorine.
About Cl4N4Zn8
Cl4N4Zn8 is a complex inorganic compound composed of chlorine, nitrogen, and zinc. As a thermodynamically stable material situated on the convex hull, it represents a robust configuration within its chemical system, offering structural integrity that is highly valued in materials science research. Its semiconducting nature suggests potential utility in electronic and optoelectronic device development, where controlled charge transport is essential. By bridging the gap between simple binary salts and more complex coordination networks, this compound provides a unique platform for investigating the interplay between its constituent elements. Its stable formation indicates a favorable energetic state, making it a reliable subject for further experimental synthesis and characterization.
Key Properties
Cross-validated computational properties for Cl4N4Zn8, 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 Cl4N4Zn8, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 1.97 | 0.0000 | -8.887 | 4.49 |
| No. 0 | unknown | — | — | — | 1.11 |
| Pna21 (No. 33) | — | — | — | — | — |
Applications
Where Cl4N4Zn8 is used.
Frequently Asked Questions
Common questions about Cl4N4Zn8, answered from cross-validated data.
What is Cl4N4Zn8?
Cl4N4Zn8 is a thermodynamically stable, semiconducting inorganic compound containing zinc, nitrogen, and chlorine.
What is Cl4N4Zn8 used for?
What is the band gap of Cl4N4Zn8?
Is Cl4N4Zn8 a metal, semiconductor, or insulator?
Is Cl4N4Zn8 thermodynamically stable?
What is the crystal structure of Cl4N4Zn8?
What is the density of Cl4N4Zn8?
How many polymorphs of Cl4N4Zn8 are known?
What elements does Cl4N4Zn8 contain?
Where does the data for Cl4N4Zn8 come from?
How It Compares
As a distinct inorganic phase, Cl4N4Zn8 serves as a specialized example of zinc-based nitrogen-chlorine chemistry. Without direct structural siblings in its immediate class, it stands as a unique reference point for understanding how these specific elements organize into stable semiconducting architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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