H2C3
H2C3 is an unstable, semiconducting hydrocarbon compound known for its diverse structural possibilities.
About H2C3
H2C3 is a hydrocarbon compound characterized by its semiconducting electronic nature. As a material that resides above the thermodynamic hull, it is considered inherently unstable, representing a metastable or transient state of carbon-hydrogen bonding. Its complex structural landscape is evidenced by the large number of reported configurations across various databases. Despite its instability, the study of such compounds is vital for understanding the limits of chemical bonding and the potential for exotic carbon-based materials. It serves as a point of interest for researchers investigating the synthesis of metastable phases in high-energy or constrained environments.
Key Properties
Cross-validated computational properties for H2C3, 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 H2C3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.97 | 0.1424 | -7.336 | 1.37 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 2.93 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.97 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.26 |
| P1 (No. 1) | Triclinic | — | — | — | 3.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.28 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.59 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.45 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.89 |
| P1 (No. 1) | Triclinic | — | — | — | 2.44 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.34 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.26 |
Frequently Asked Questions
Common questions about H2C3, answered from cross-validated data.
What is H2C3?
H2C3 is an unstable, semiconducting hydrocarbon compound known for its diverse structural possibilities.
What is the band gap of H2C3?
Is H2C3 a metal, semiconductor, or insulator?
Is H2C3 thermodynamically stable?
What is the crystal structure of H2C3?
What is the density of H2C3?
How many polymorphs of H2C3 are known?
What elements does H2C3 contain?
Where does the data for H2C3 come from?
How It Compares
As an unclassified hydrocarbon, H2C3 exists as a unique structural entity within the broader context of carbon-hydrogen chemistry. Unlike more common, thermodynamically stable hydrocarbons, this compound occupies a distinct position as a metastable phase, highlighting the diversity of potential bonding arrangements that can be explored in theoretical and experimental materials science.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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