LiAgO2
LiAgO2 is a stable, semiconducting lithium silver oxide used primarily in fundamental materials research.
About LiAgO2
LiAgO2 is a thermodynamically stable member of the lithium oxide family, characterized by its semiconducting electronic nature. As a material residing on the convex hull, it exhibits robust structural integrity, making it a subject of significant interest for fundamental solid-state chemistry studies. Its unique composition involving silver allows for distinct electronic behavior compared to traditional transition metal-based lithium oxides. The material is primarily utilized in research contexts to probe the interplay between noble metal cations and lithium-ion frameworks, offering insights into potential electrochemical applications where stable, semiconducting oxide lattices are required.
Key Properties
Cross-validated computational properties for LiAgO2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LiAgO2. 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 LiAgO2, 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 | 0.71 | 0.0000 | -0.941 | — |
| P21/c (No. 14) | monoclinic | 0.61 | 0.0000 | -4.766 | 5.44 |
| Pmna (No. 53) | orthorhombic | 0.50 | 0.0044 | -4.762 | 5.32 |
| Pmna (No. 53) | orthorhombic | 0.76 | 0.0048 | -0.936 | — |
| C2/m (No. 12) | monoclinic | 0.62 | 0.0192 | -0.922 | — |
| C2/m (No. 12) | monoclinic | 0.47 | 0.0225 | -4.744 | 5.31 |
| Pmmm (No. 47) | orthorhombic | 0.07 | 0.0375 | -0.904 | — |
| Pmmm (No. 47) | orthorhombic | 0.09 | 0.0463 | -4.720 | 4.73 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0610 | -0.880 | — |
| Pmmm (No. 47) | orthorhombic | 0.14 | 0.0614 | -0.880 | — |
| — | — | 0.00 | 0.1878 | -0.780 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1975 | -0.744 | — |
Applications
Where LiAgO2 is used.
Frequently Asked Questions
Common questions about LiAgO2, answered from cross-validated data.
What is LiAgO2?
LiAgO2 is a stable, semiconducting lithium silver oxide used primarily in fundamental materials research.
What is LiAgO2 used for?
What is the band gap of LiAgO2?
Is LiAgO2 a metal, semiconductor, or insulator?
Is LiAgO2 thermodynamically stable?
What is the crystal structure of LiAgO2?
How many polymorphs of LiAgO2 are known?
What elements does LiAgO2 contain?
Where does the data for LiAgO2 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials LiCoO2, LiNiO2, and LiMn2O4, which are heavily optimized for commercial battery performance, LiAgO2 serves as a specialized structural analog that highlights the influence of silver in the oxide lattice. While Li2O acts as a fundamental building block for the class, LiAgO2 provides a more complex electronic environment, positioning it as a distinct research-grade compound rather than a primary energy storage workhorse.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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