C8H24N16O4
C8H24N16O4 is a metastable, wide-band-gap insulating compound primarily utilized in fundamental materials research.
About C8H24N16O4
C8H24N16O4 is a complex organic-based molecular structure that functions as a wide-band-gap insulator. Its electronic configuration suggests limited charge carrier mobility, making it an interesting subject for fundamental research into insulating materials.
As a metastable compound, it represents a specific energetic state that requires precise synthesis conditions. Its existence across multiple structural databases highlights its significance as a target for computational and experimental investigation in specialized chemical applications.
Key Properties
Cross-validated computational properties for C8H24N16O4, 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 C8H24N16O4, 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 | 4.59 | 0.0514 | -6.439 | 1.37 |
| — | — | — | — | — | 1.26 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where C8H24N16O4 is used.
Frequently Asked Questions
Common questions about C8H24N16O4, answered from cross-validated data.
What is C8H24N16O4?
C8H24N16O4 is a metastable, wide-band-gap insulating compound primarily utilized in fundamental materials research.
What is C8H24N16O4 used for?
What is the band gap of C8H24N16O4?
Is C8H24N16O4 a metal, semiconductor, or insulator?
Is C8H24N16O4 thermodynamically stable?
What is the crystal structure of C8H24N16O4?
What is the density of C8H24N16O4?
How many polymorphs of C8H24N16O4 are known?
What elements does C8H24N16O4 contain?
Where does the data for C8H24N16O4 come from?
How It Compares
As a unique molecular entity within its structural class, C8H24N16O4 serves as a distinct point of study for researchers exploring the boundaries of metastable molecular insulators.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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