C16H16Li16O32
C16H16Li16O32 is a metastable, insulating lithium-based compound currently studied for its unique structural properties in materials science research.
About C16H16Li16O32
C16H16Li16O32 is a complex organic-inorganic hybrid material characterized by its wide-band-gap insulating electronic profile. Its structural arrangement is defined by a specific configuration of carbon, hydrogen, lithium, and oxygen atoms that results in a distinct insulating behavior.
Due to its position above the thermodynamic hull, this compound is considered metastable, making it a subject of interest for researchers studying synthetic pathways and structural stability. Its presence across multiple databases highlights its role as a specialized candidate in exploratory materials science.
Key Properties
Cross-validated computational properties for C16H16Li16O32, 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 C16H16Li16O32, 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 | 5.05 | 0.1047 | -6.514 | 1.37 |
| P1 (No. 1) | triclinic | 2.94 | 0.4150 | -6.776 | 0.94 |
| No. 0 | unknown | — | — | — | 0.18 |
| No. 0 | unknown | — | — | — | 0.18 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 1.34 |
Frequently Asked Questions
Common questions about C16H16Li16O32, answered from cross-validated data.
What is C16H16Li16O32?
C16H16Li16O32 is a metastable, insulating lithium-based compound currently studied for its unique structural properties in materials science research.
What is the band gap of C16H16Li16O32?
Is C16H16Li16O32 a metal, semiconductor, or insulator?
Is C16H16Li16O32 thermodynamically stable?
What is the crystal structure of C16H16Li16O32?
What is the density of C16H16Li16O32?
How many polymorphs of C16H16Li16O32 are known?
What elements does C16H16Li16O32 contain?
Where does the data for C16H16Li16O32 come from?
How It Compares
As a unique entry in current materials databases, C16H16Li16O32 serves as an isolated case study for understanding the stability limits of complex lithium-based organic frameworks in the absence of more common structural analogs.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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