C16H36N4O16
C16H36N4O16 is a complex, insulating organic compound that is thermodynamically unstable.
About C16H36N4O16
C16H36N4O16 is a complex molecular structure composed of carbon, hydrogen, nitrogen, and oxygen. As a wide-band-gap insulator, it exhibits electrical properties typical of non-conductive organic frameworks, making it a subject of interest for fundamental structural studies. Its electronic character suggests a lack of free charge carriers, which is characteristic of its insulating nature.
Regarding its thermodynamic profile, this compound is situated above the hull, indicating that it is likely unstable under standard conditions. While it is documented across a limited number of structural databases, its existence represents a specific point in the chemical space of complex polyatomic molecules that requires further investigation to understand its formation and potential decay pathways.
Key Properties
Cross-validated computational properties for C16H36N4O16, 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 C16H36N4O16, 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 | 3.24 | 0.1449 | -6.075 | 1.31 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.36 |
Frequently Asked Questions
Common questions about C16H36N4O16, answered from cross-validated data.
What is C16H36N4O16?
C16H36N4O16 is a complex, insulating organic compound that is thermodynamically unstable.
What is the band gap of C16H36N4O16?
Is C16H36N4O16 a metal, semiconductor, or insulator?
Is C16H36N4O16 thermodynamically stable?
What is the crystal structure of C16H36N4O16?
What is the density of C16H36N4O16?
How many polymorphs of C16H36N4O16 are known?
What elements does C16H36N4O16 contain?
Where does the data for C16H36N4O16 come from?
How It Compares
As an unclassified molecular compound, C16H36N4O16 serves as a unique data point within the broader landscape of complex organic structures, representing a distinct configuration that does not currently belong to a well-defined class of materials.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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