H4C6O
H4C6O is a semiconducting organic compound known for its high structural diversity and metastable nature.
About H4C6O
H4C6O is a complex organic-based compound characterized by its semiconducting electronic nature. Its structural diversity is highlighted by a significant number of reported configurations, reflecting the intricate bonding possibilities within this carbon-hydrogen-oxygen framework. As a material that sits above the thermodynamic hull, H4C6O is considered metastable. This status suggests that while it can exist in various structural forms, it may be sensitive to environmental conditions that favor transition into more stable phases.
Key Properties
Cross-validated computational properties for H4C6O, 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 H4C6O, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 2.92 | 0.1845 | -6.941 | 1.38 |
| No. 0 | unknown | — | — | — | 0.20 |
| No. 0 | unknown | — | — | — | 0.35 |
| No. 0 | unknown | — | — | — | 0.35 |
| No. 0 | unknown | — | — | — | 0.36 |
| No. 0 | unknown | — | — | — | 0.17 |
| No. 0 | unknown | — | — | — | 0.67 |
| No. 0 | unknown | — | — | — | 0.20 |
| No. 0 | unknown | — | — | — | 0.32 |
| Pbcn (No. 60) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.37 |
| No. 0 | unknown | — | — | — | 0.72 |
Frequently Asked Questions
Common questions about H4C6O, answered from cross-validated data.
What is H4C6O?
H4C6O is a semiconducting organic compound known for its high structural diversity and metastable nature.
What is the band gap of H4C6O?
Is H4C6O a metal, semiconductor, or insulator?
Is H4C6O thermodynamically stable?
What is the crystal structure of H4C6O?
What is the density of H4C6O?
How many polymorphs of H4C6O are known?
What elements does H4C6O contain?
Where does the data for H4C6O come from?
How It Compares
As an unclassified organic-based material, H4C6O represents a unique case study in structural polymorphism. Without direct structural siblings in this specific class, its behavior serves as a baseline for understanding how carbon-rich architectures balance semiconducting properties with thermodynamic instability.
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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