C8H8N8O4
C8H8N8O4 is an insulating, metastable organic compound composed of carbon, hydrogen, nitrogen, and oxygen.
About C8H8N8O4
C8H8N8O4 is a complex organic-based compound characterized by a wide-band-gap insulating electronic structure. Its composition, featuring a dense arrangement of carbon, hydrogen, nitrogen, and oxygen, suggests a highly specialized molecular architecture that is of interest for fundamental structural studies.
Because this material resides above the thermodynamic hull, it is considered inherently unstable under standard conditions. This metastability makes it a compelling subject for researchers investigating high-energy density materials or unique synthetic pathways in complex chemical systems.
Key Properties
Cross-validated computational properties for C8H8N8O4, 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 C8H8N8O4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.92 | 0.2239 | -7.119 | 1.35 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.24 |
| No. 0 | unknown | — | — | — | 0.83 |
| No. 0 | unknown | — | — | — | 0.20 |
| No. 0 | unknown | — | — | — | 0.79 |
| No. 0 | unknown | — | — | — | 0.39 |
Frequently Asked Questions
Common questions about C8H8N8O4, answered from cross-validated data.
What is C8H8N8O4?
C8H8N8O4 is an insulating, metastable organic compound composed of carbon, hydrogen, nitrogen, and oxygen.
What is the band gap of C8H8N8O4?
Is C8H8N8O4 a metal, semiconductor, or insulator?
Is C8H8N8O4 thermodynamically stable?
What is the crystal structure of C8H8N8O4?
What is the density of C8H8N8O4?
How many polymorphs of C8H8N8O4 are known?
What elements does C8H8N8O4 contain?
Where does the data for C8H8N8O4 come from?
How It Compares
As a unique entry in the database, this compound represents a specialized niche of organic-nitrogen-rich materials. Unlike more common, thermodynamically stable compounds, its position relative to the hull highlights the challenges and opportunities in synthesizing and characterizing metastable molecular structures.
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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