I4Li4O16
I4Li4O16 is a metastable semiconducting lithium oxide compound that contributes to the structural diversity of the lithium oxide material class.
About I4Li4O16
I4Li4O16 is a complex lithium oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement within the lithium-iodine-oxygen system, offering insights into the diverse bonding environments possible in lithium-based oxides.
This compound is of interest to researchers studying the fundamental properties of lithium-rich oxides. Its existence as a metastable structure highlights the complexity of phase formation in these materials, which are essential for understanding ion mobility and structural stability in advanced electrochemical systems.
Key Properties
Cross-validated computational properties for I4Li4O16, 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 I4Li4O16, 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 | 2.07 | 0.0371 | -4.989 | 3.55 |
| P21/c (No. 14) | monoclinic | 2.28 | 0.0582 | -4.968 | 3.30 |
| — | — | — | — | — | 3.36 |
| P21/c (No. 14) | — | — | — | — | — |
Frequently Asked Questions
Common questions about I4Li4O16, answered from cross-validated data.
What is I4Li4O16?
I4Li4O16 is a metastable semiconducting lithium oxide compound that contributes to the structural diversity of the lithium oxide material class.
What is the band gap of I4Li4O16?
Is I4Li4O16 a metal, semiconductor, or insulator?
Is I4Li4O16 thermodynamically stable?
What is the crystal structure of I4Li4O16?
What is the density of I4Li4O16?
How many polymorphs of I4Li4O16 are known?
What elements does I4Li4O16 contain?
Where does the data for I4Li4O16 come from?
How It Compares
Within the lithium oxides class.
Unlike the highly stable and widely utilized cathode materials such as LiCoO2, LiNiO2, and LiMn2O4, I4Li4O16 exists in a metastable state. While compounds like Li2O serve as fundamental building blocks in lithium oxide chemistry, I4Li4O16 represents a more specialized, less common structural variant that contrasts with the robust, commercially established oxides found in battery technologies.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze I4Li4O16 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →