C12H4Cl4O8
C12H4Cl4O8 is a semiconducting organic compound that exists in a metastable state and is primarily utilized in advanced materials research.
About C12H4Cl4O8
C12H4Cl4O8 is a complex organic compound characterized by its semiconducting electronic nature. Its molecular architecture, defined by a specific arrangement of carbon, chlorine, hydrogen, and oxygen, suggests a niche role in specialized chemical synthesis and molecular electronics research.
As a material currently identified as residing above the thermodynamic hull, this compound is considered metastable. Its existence across multiple reported structures highlights its scientific interest despite the challenges associated with its synthesis and long-term stability in ambient conditions.
Key Properties
Cross-validated computational properties for C12H4Cl4O8, 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 C12H4Cl4O8, 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 | 1.16 | 0.2176 | -6.892 | 1.79 |
| No. 0 | unknown | — | — | — | 0.50 |
| — | — | — | — | — | 1.80 |
Applications
Where C12H4Cl4O8 is used.
Frequently Asked Questions
Common questions about C12H4Cl4O8, answered from cross-validated data.
What is C12H4Cl4O8?
C12H4Cl4O8 is a semiconducting organic compound that exists in a metastable state and is primarily utilized in advanced materials research.
What is C12H4Cl4O8 used for?
What is the band gap of C12H4Cl4O8?
Is C12H4Cl4O8 a metal, semiconductor, or insulator?
Is C12H4Cl4O8 thermodynamically stable?
What is the crystal structure of C12H4Cl4O8?
What is the density of C12H4Cl4O8?
How many polymorphs of C12H4Cl4O8 are known?
What elements does C12H4Cl4O8 contain?
Where does the data for C12H4Cl4O8 come from?
How It Compares
As a singular entry in this dataset, C12H4Cl4O8 serves as a primary reference point for studying chlorinated organic semiconductors. Its unique composition provides a baseline for evaluating how halogen substitution influences the electronic and structural stability of similar complex organic molecules.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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