HC
HC is a metastable hydrocarbon material characterized by its insulating electronic properties and a diverse array of potential structural configurations.
About HC
HC is a metastable hydrocarbon composition that represents a complex structural landscape in materials science. Due to the high number of reported structural configurations, it serves as a significant subject for studying carbon-hydrogen bonding arrangements and phase stability.
As a wide-band-gap insulating material, it possesses unique electronic properties that distinguish it from conductive carbon allotropes. Its metastable nature makes it a fascinating target for synthesis research and high-pressure experimental studies.
Key Properties
Cross-validated computational properties for HC, 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 HC, 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-3m1 (No. 164) | trigonal | 3.09 | 0.0466 | -6.814 | 1.60 |
| C2/m (No. 12) | monoclinic | 3.56 | 0.1098 | -6.751 | 1.16 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1732 | -6.688 | 1.05 |
| I213 (No. 199) | cubic | 4.92 | 0.3199 | -6.541 | 2.15 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.02 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.05 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.64 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.05 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.47 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.17 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.94 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.33 |
Applications
Where HC is used.
Frequently Asked Questions
Common questions about HC, answered from cross-validated data.
What is HC?
HC is a metastable hydrocarbon material characterized by its insulating electronic properties and a diverse array of potential structural configurations.
What is HC used for?
What is the band gap of HC?
Is HC a metal, semiconductor, or insulator?
Is HC thermodynamically stable?
What is the crystal structure of HC?
What is the density of HC?
How many polymorphs of HC are known?
What elements does HC contain?
Where does the data for HC come from?
How It Compares
As a unique hydrocarbon phase, HC occupies a distinct position in material databases, serving as a primary reference point for understanding the structural diversity of carbon-hydrogen systems in the absence of more stable crystalline counterparts.
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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