LiInO2
LiInO2 is a thermodynamically stable semiconducting oxide used in the study and development of transparent conducting materials for electronics.
About LiInO2
LiInO2 is a semiconducting oxide that occupies a stable position on the thermodynamic convex hull. Its electronic structure makes it an intriguing candidate for research within the broader family of transparent conducting oxides, where material stability and charge transport are critical for device performance.
This compound is primarily studied for its potential utility in optoelectronic applications. By leveraging its inherent stability and semiconducting nature, researchers investigate how this material can be integrated into thin-film technologies and next-generation electronic components.
Key Properties
Cross-validated computational properties for LiInO2, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LiInO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for LiInO2, 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. |
|---|---|---|---|---|---|
| — | — | 2.18 | 0.0000 | -1.935 | — |
| I41/amd (No. 141) | tetragonal | 2.04 | 0.0000 | -1.883 | — |
| I41/amd (No. 141) | tetragonal | 1.81 | 0.0000 | -5.702 | 5.86 |
| I41md (No. 109) | tetragonal | 2.58 | 0.0004 | -5.702 | 5.86 |
| — | — | 2.65 | 0.0106 | -1.924 | — |
| — | — | 1.88 | 0.0392 | -1.895 | — |
| — | — | 1.89 | 0.0529 | -1.882 | — |
| — | — | 1.69 | 0.0888 | -1.846 | — |
| — | — | 2.07 | 0.0949 | -1.840 | — |
| I41/amd (No. 141) | tetragonal | — | — | — | 5.70 |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiInO2.
Applications
Where LiInO2 is used.
Frequently Asked Questions
Common questions about LiInO2, answered from cross-validated data.
What is LiInO2?
LiInO2 is a thermodynamically stable semiconducting oxide used in the study and development of transparent conducting materials for electronics.
What is LiInO2 used for?
What is the band gap of LiInO2?
Is LiInO2 a metal, semiconductor, or insulator?
Is LiInO2 thermodynamically stable?
What is the crystal structure of LiInO2?
How many polymorphs of LiInO2 are known?
How is LiInO2 synthesized?
What elements does LiInO2 contain?
Where does the data for LiInO2 come from?
How It Compares
Within the transparent conducting oxides class.
Within the class of transparent conducting oxides, LiInO2 distinguishes itself through its thermodynamic stability compared to more traditional, widely used materials like ZnO. While many members of this class, such as ZnGa2O4 or BaSnO3, are extensively characterized for their specific conductivity profiles, LiInO2 remains a specialized member that offers a unique structural alternative for researchers exploring new oxide-based semiconductor architectures.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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