C4H24N16S4
C4H24N16S4 is an insulating, nitrogen-rich molecular compound that exhibits metastable characteristics and multiple structural configurations.
About C4H24N16S4
C4H24N16S4 is a complex organic-inorganic hybrid material characterized by a wide-band-gap electronic structure. As an insulating compound, it represents a niche area of study within materials science, defined by a high nitrogen and sulfur content that influences its structural arrangement.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its existence in multiple reported structures suggests that synthesis pathways can lead to diverse configurations, making it a subject of interest for fundamental research into complex molecular lattices.
Key Properties
Cross-validated computational properties for C4H24N16S4, 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 C4H24N16S4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.49 | 0.1686 | -5.785 | 1.51 |
| No. 0 | unknown | — | — | — | 0.39 |
| P21/c (No. 14) | — | — | — | — | — |
Frequently Asked Questions
Common questions about C4H24N16S4, answered from cross-validated data.
What is C4H24N16S4?
C4H24N16S4 is an insulating, nitrogen-rich molecular compound that exhibits metastable characteristics and multiple structural configurations.
What is the band gap of C4H24N16S4?
Is C4H24N16S4 a metal, semiconductor, or insulator?
Is C4H24N16S4 thermodynamically stable?
What is the crystal structure of C4H24N16S4?
What is the density of C4H24N16S4?
How many polymorphs of C4H24N16S4 are known?
What elements does C4H24N16S4 contain?
Where does the data for C4H24N16S4 come from?
How It Compares
As a unique compound with no direct structural siblings in this specific dataset, C4H24N16S4 serves as a distinct case study for understanding the stability limits of nitrogen-rich sulfur-containing molecular solids.
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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