C4H12N20O16
C4H12N20O16 is a complex, semiconducting nitrogen-rich molecular compound that is characterized by its metastable thermodynamic state.
About C4H12N20O16
C4H12N20O16 is a complex molecular structure composed of carbon, hydrogen, nitrogen, and oxygen. As a semiconducting material, it exhibits electronic properties that distinguish it from standard insulating organic compounds, though its structural configuration suggests it is not thermodynamically favored under ambient conditions. Its existence as a metastable phase makes it a subject of interest for fundamental studies in high-nitrogen chemistry. Given its position above the stability hull, this compound is primarily studied in controlled laboratory environments where its unique bonding arrangements can be characterized. It represents a niche area of materials science where researchers investigate the limits of molecular stability and electronic behavior in nitrogen-rich frameworks.
Key Properties
Cross-validated computational properties for C4H12N20O16, 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 C4H12N20O16, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 2.89 | 0.5283 | -6.587 | 1.62 |
| P212121 (No. 19) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.47 |
Frequently Asked Questions
Common questions about C4H12N20O16, answered from cross-validated data.
What is C4H12N20O16?
C4H12N20O16 is a complex, semiconducting nitrogen-rich molecular compound that is characterized by its metastable thermodynamic state.
What is the band gap of C4H12N20O16?
Is C4H12N20O16 a metal, semiconductor, or insulator?
Is C4H12N20O16 thermodynamically stable?
What is the crystal structure of C4H12N20O16?
What is the density of C4H12N20O16?
How many polymorphs of C4H12N20O16 are known?
What elements does C4H12N20O16 contain?
Where does the data for C4H12N20O16 come from?
How It Compares
As a unique compound without direct structural analogues in this specific dataset, C4H12N20O16 serves as an outlier that highlights the challenges of synthesizing and stabilizing complex nitrogen-rich molecular solids.
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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