C4H14N14O12
C4H14N14O12 is a nitrogen-rich molecular compound with semiconducting properties that is currently being investigated for its structural stability.
About C4H14N14O12
C4H14N14O12 is a complex molecular compound characterized by a high nitrogen content and a semiconducting electronic profile. Its structural composition suggests a specialized role in fundamental materials research where high-density nitrogen frameworks are of interest.
Due to its position above the thermodynamic hull, this compound is considered metastable, making it a subject of interest for experimental synthesis and stability studies. Its unique atomic arrangement provides a distinct platform for exploring high-energy density materials.
Key Properties
Cross-validated computational properties for C4H14N14O12, 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 C4H14N14O12, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.24 | 0.5548 | -6.308 | 1.47 |
| P-1 (No. 2) | triclinic | 2.15 | 0.5583 | -6.305 | 1.67 |
| No. 0 | unknown | — | — | — | 0.46 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where C4H14N14O12 is used.
Frequently Asked Questions
Common questions about C4H14N14O12, answered from cross-validated data.
What is C4H14N14O12?
C4H14N14O12 is a nitrogen-rich molecular compound with semiconducting properties that is currently being investigated for its structural stability.
What is C4H14N14O12 used for?
What is the band gap of C4H14N14O12?
Is C4H14N14O12 a metal, semiconductor, or insulator?
Is C4H14N14O12 thermodynamically stable?
What is the crystal structure of C4H14N14O12?
What is the density of C4H14N14O12?
How many polymorphs of C4H14N14O12 are known?
What elements does C4H14N14O12 contain?
Where does the data for C4H14N14O12 come from?
How It Compares
As a unique compound within its specific chemical space, C4H14N14O12 serves as a specialized example of nitrogen-rich molecular solids, offering researchers a distinct case study for investigating the stability and electronic behavior of complex, high-nitrogen frameworks.
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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