H5C8NO2
H5C8NO2 is a metastable, semiconducting organic compound known for its diverse structural configurations.
About H5C8NO2
H5C8NO2 is a complex organic molecule characterized by its semiconducting electronic profile. Its structural diversity is evidenced by its presence in multiple distinct crystallographic arrangements, highlighting the intricate bonding possibilities within this molecular framework. Due to its position above the thermodynamic hull, this compound is considered metastable. This inherent instability makes it a subject of significant interest for researchers investigating the limits of molecular synthesis and the formation of transient organic phases.
Key Properties
Cross-validated computational properties for H5C8NO2, 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 H5C8NO2, 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 | 2.90 | 0.1910 | -7.167 | 1.42 |
| No. 0 | unknown | — | — | — | 0.37 |
| No. 0 | unknown | — | — | — | 0.39 |
| No. 0 | unknown | — | — | — | 0.26 |
| No. 0 | unknown | — | — | — | 0.37 |
| No. 0 | unknown | — | — | — | 0.72 |
| No. 0 | unknown | — | — | — | 0.13 |
| No. 0 | unknown | — | — | — | 0.37 |
| No. 0 | unknown | — | — | — | 0.38 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
Frequently Asked Questions
Common questions about H5C8NO2, answered from cross-validated data.
What is H5C8NO2?
H5C8NO2 is a metastable, semiconducting organic compound known for its diverse structural configurations.
What is the band gap of H5C8NO2?
Is H5C8NO2 a metal, semiconductor, or insulator?
Is H5C8NO2 thermodynamically stable?
What is the crystal structure of H5C8NO2?
What is the density of H5C8NO2?
How many polymorphs of H5C8NO2 are known?
What elements does H5C8NO2 contain?
Where does the data for H5C8NO2 come from?
How It Compares
As a unique organic molecular entity, H5C8NO2 functions as a standalone case study within its structural class, representing a specific arrangement of carbon, hydrogen, nitrogen, and oxygen that challenges conventional stability predictions.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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