C4K4N4S4
C4K4N4S4 is a wide-band-gap insulating compound that exhibits thermodynamic stability near the hull, making it a viable candidate for experimental synthesis.
About C4K4N4S4
C4K4N4S4 is a complex inorganic compound characterized by its insulating electronic nature and wide-band-gap behavior. Its structural configuration suggests a high degree of complexity, supported by its presence across multiple independent databases.
As a near-hull material, this compound occupies a favorable position in the thermodynamic landscape, indicating it is likely synthesizable under controlled conditions. Its unique atomic arrangement makes it an intriguing subject for research into specialized electronic materials.
Key Properties
Cross-validated computational properties for C4K4N4S4, 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 C4K4N4S4, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 4.11 | 0.0146 | -8.817 | 1.93 |
| Ima2 (No. 46) | orthorhombic | 4.23 | 0.0366 | -8.795 | 1.84 |
| Pbcm (No. 57) | orthorhombic | 4.10 | 0.0431 | -8.789 | 1.52 |
| Pbcm (No. 57) | orthorhombic | 4.24 | 0.0585 | -8.773 | 1.37 |
| Pbcm (No. 57) | — | — | — | — | — |
| Pbcm (No. 57) | — | — | — | — | — |
| Pbcm (No. 57) | — | — | — | — | — |
| Pbcm (No. 57) | — | — | — | — | — |
| — | — | — | — | — | 1.59 |
| Pbcm (No. 57) | — | — | — | — | — |
Applications
Where C4K4N4S4 is used.
Frequently Asked Questions
Common questions about C4K4N4S4, answered from cross-validated data.
What is C4K4N4S4?
C4K4N4S4 is a wide-band-gap insulating compound that exhibits thermodynamic stability near the hull, making it a viable candidate for experimental synthesis.
What is C4K4N4S4 used for?
What is the band gap of C4K4N4S4?
Is C4K4N4S4 a metal, semiconductor, or insulator?
Is C4K4N4S4 thermodynamically stable?
What is the crystal structure of C4K4N4S4?
What is the density of C4K4N4S4?
How many polymorphs of C4K4N4S4 are known?
What elements does C4K4N4S4 contain?
Where does the data for C4K4N4S4 come from?
How It Compares
As a unique entry in its structural class, C4K4N4S4 serves as a benchmark for understanding the stability of complex carbon-potassium-nitrogen-sulfur systems. Its near-hull status highlights its potential for experimental realization compared to more unstable theoretical configurations.
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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