H4C5O2
H4C5O2 is an insulating, structurally diverse organic compound that exists in a metastable state.
About H4C5O2
H4C5O2 is an organic-based compound composed of carbon, hydrogen, and oxygen. It functions as a wide-gap insulator, exhibiting electronic properties typical of non-conductive molecular materials.
While it demonstrates significant structural diversity with numerous reported configurations across databases, it is characterized as being above the thermodynamic hull. This suggests it is a metastable or unstable species that requires specific conditions for synthesis or preservation.
Key Properties
Cross-validated computational properties for H4C5O2, aggregated across 4 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 H4C5O2, 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 | 3.33 | 0.1723 | -6.856 | 1.43 |
| No. 0 | unknown | — | — | — | 0.24 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.46 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.43 |
| No. 0 | unknown | — | — | — | 0.37 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.43 |
| No. 0 | unknown | — | — | — | 0.79 |
| No. 0 | unknown | — | — | — | 0.37 |
| Pna21 (No. 33) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.37 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.38 |
Frequently Asked Questions
Common questions about H4C5O2, answered from cross-validated data.
What is H4C5O2?
H4C5O2 is an insulating, structurally diverse organic compound that exists in a metastable state.
What is the band gap of H4C5O2?
Is H4C5O2 a metal, semiconductor, or insulator?
Is H4C5O2 thermodynamically stable?
What is the crystal structure of H4C5O2?
What is the density of H4C5O2?
How many polymorphs of H4C5O2 are known?
What elements does H4C5O2 contain?
Where does the data for H4C5O2 come from?
How It Compares
As a unique organic composition, H4C5O2 represents a specialized case within its chemical class, serving as a point of study for understanding the stability limits of carbon-hydrogen-oxygen 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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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