H3CO3
H3CO3 is a metastable, wide-band-gap insulating compound composed of carbon, hydrogen, and oxygen atoms.
About H3CO3
H3CO3 is a metastable, wide-band-gap insulating material composed of carbon, hydrogen, and oxygen. Its electronic character defines it as a dielectric substance, making it a subject of interest for fundamental studies in chemical stability and structural diversity.
Given its status as a metastable phase, this compound is primarily investigated within theoretical and experimental frameworks to understand its potential formation pathways. It serves as an intriguing example of complex bonding arrangements within simple organic-inorganic systems.
Key Properties
Cross-validated computational properties for H3CO3, 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 H3CO3, 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 | 3.37 | 0.0661 | -6.220 | 1.65 |
| P21/c (No. 14) | monoclinic | 3.58 | 0.0684 | -6.217 | 1.61 |
| P21/c (No. 14) | monoclinic | 3.43 | 0.0816 | -6.204 | 1.51 |
| No. 0 | unknown | — | — | — | 0.42 |
| No. 0 | unknown | — | — | — | 0.41 |
| P21/c (No. 14) | Monoclinic | — | — | — | 1.65 |
| P21/c (No. 14) | Monoclinic | — | — | — | 1.66 |
| P21/c (No. 14) | Monoclinic | — | — | — | 1.66 |
| P21/c (No. 14) | monoclinic | — | — | — | 0.43 |
| P21/c (No. 14) | Monoclinic | — | — | — | 1.70 |
| P21/c (No. 14) | monoclinic | — | — | — | 0.43 |
| P21/c (No. 14) | monoclinic | — | — | — | 0.43 |
Applications
Where H3CO3 is used.
Frequently Asked Questions
Common questions about H3CO3, answered from cross-validated data.
What is H3CO3?
H3CO3 is a metastable, wide-band-gap insulating compound composed of carbon, hydrogen, and oxygen atoms.
What is H3CO3 used for?
What is the band gap of H3CO3?
Is H3CO3 a metal, semiconductor, or insulator?
Is H3CO3 thermodynamically stable?
What is the crystal structure of H3CO3?
What is the density of H3CO3?
How many polymorphs of H3CO3 are known?
What elements does H3CO3 contain?
Where does the data for H3CO3 come from?
How It Compares
As a metastable, insulating compound, H3CO3 occupies a unique niche in materials science where its structural complexity is highlighted by its presence across multiple databases, reflecting its role as a significant subject for those studying non-equilibrium phases.
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.
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