C4H16N8S4
C4H16N8S4 is a thermodynamically stable, wide-band-gap insulating compound with diverse structural configurations.
About C4H16N8S4
C4H16N8S4 is a complex organic-inorganic hybrid material characterized by its insulating electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural configuration within its chemical space.
This material is notable for its structural diversity, supported by multiple reported crystalline forms across scientific databases. Its wide-band-gap profile suggests utility in specialized electronic or optical applications where insulating properties are required.
Key Properties
Cross-validated computational properties for C4H16N8S4, 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 C4H16N8S4, 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. |
|---|---|---|---|---|---|
| Pmc21 (No. 26) | orthorhombic | 3.29 | 0.0000 | -5.838 | 1.43 |
| Pnma (No. 62) | orthorhombic | 3.47 | 0.0008 | -5.837 | 1.44 |
| Pnma (No. 62) | orthorhombic | 3.62 | 0.0010 | -5.837 | 1.37 |
| P21/c (No. 14) | monoclinic | 4.33 | 0.0318 | -5.806 | 1.24 |
| Pmc21 (No. 26) | orthorhombic | 2.80 | 0.0551 | -5.783 | 0.72 |
| No. 0 | unknown | — | — | — | 0.35 |
| Pnma (No. 62) | orthorhombic | — | — | — | 0.35 |
| Pnma (No. 62) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where C4H16N8S4 is used.
Frequently Asked Questions
Common questions about C4H16N8S4, answered from cross-validated data.
What is C4H16N8S4?
C4H16N8S4 is a thermodynamically stable, wide-band-gap insulating compound with diverse structural configurations.
What is C4H16N8S4 used for?
What is the band gap of C4H16N8S4?
Is C4H16N8S4 a metal, semiconductor, or insulator?
Is C4H16N8S4 thermodynamically stable?
What is the crystal structure of C4H16N8S4?
What is the density of C4H16N8S4?
How many polymorphs of C4H16N8S4 are known?
What elements does C4H16N8S4 contain?
Where does the data for C4H16N8S4 come from?
How It Compares
As a unique compound with a distinct structural profile, C4H16N8S4 serves as a foundational example of stable, insulating molecular architectures. While it currently stands as a singular entry in this context, its thermodynamic stability makes it a significant reference point for future investigations into similar complex sulfur-nitrogen-carbon networks.
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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