C14Cr2F4H2N2O10
It is a complex, wide-gap insulating molecular compound containing chromium, fluorine, and organic components.
About C14Cr2F4H2N2O10
C14Cr2F4H2N2O10 is a complex molecular compound characterized by its insulating electronic nature and wide band gap. Its structural composition suggests a specialized role within coordination chemistry, where its unique arrangement of organic and inorganic components influences its overall physical behavior.
Due to its position above the thermodynamic stability hull, this compound is considered metastable, making it an intriguing subject for experimental synthesis and structural characterization. It represents a niche area of material science where researchers study the delicate balance between molecular stability and electronic performance.
Key Properties
Cross-validated computational properties for C14Cr2F4H2N2O10, 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 C14Cr2F4H2N2O10, 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 | 3.57 | 0.5445 | -7.552 | 1.56 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.94 |
Frequently Asked Questions
Common questions about C14Cr2F4H2N2O10, answered from cross-validated data.
What is C14Cr2F4H2N2O10?
It is a complex, wide-gap insulating molecular compound containing chromium, fluorine, and organic components.
What is the band gap of C14Cr2F4H2N2O10?
Is C14Cr2F4H2N2O10 a metal, semiconductor, or insulator?
Is C14Cr2F4H2N2O10 thermodynamically stable?
What is the crystal structure of C14Cr2F4H2N2O10?
What is the density of C14Cr2F4H2N2O10?
How many polymorphs of C14Cr2F4H2N2O10 are known?
What elements does C14Cr2F4H2N2O10 contain?
Where does the data for C14Cr2F4H2N2O10 come from?
How It Compares
As a unique coordination complex with no direct structural siblings in this specific dataset, C14Cr2F4H2N2O10 serves as an isolated example of how complex fluorinated organic ligands can integrate with chromium centers to produce insulating materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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