LiAg3O2
LiAg3O2 is a thermodynamically stable, semiconducting ternary oxide composed of lithium, silver, and oxygen.
About LiAg3O2
LiAg3O2 is a distinct member of the lithium oxide family, characterized by its semiconducting electronic nature. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within this complex chemical system.
Its unique composition of lithium, silver, and oxygen makes it a subject of interest for researchers studying ion mobility and electronic transport. The compound's stability suggests it can maintain its structural integrity under various conditions, which is essential for its potential utility in specialized inorganic material applications.
Key Properties
Cross-validated computational properties for LiAg3O2, 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 LiAg3O2. 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 LiAg3O2, 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. |
|---|---|---|---|---|---|
| — | — | 0.95 | 0.0000 | -0.725 | — |
| Ibam (No. 72) | orthorhombic | 0.86 | 0.0000 | -0.700 | — |
| Ibam (No. 72) | orthorhombic | 0.73 | 0.0000 | -4.194 | 7.18 |
| Ibam (No. 72) | orthorhombic | — | — | — | 6.82 |
| Ibam (No. 72) | orthorhombic | — | — | — | 7.14 |
| Ibam (No. 72) | orthorhombic | — | — | — | 7.12 |
| Ibam (No. 72) | orthorhombic | — | — | — | 7.24 |
Applications
Where LiAg3O2 is used.
Frequently Asked Questions
Common questions about LiAg3O2, answered from cross-validated data.
What is LiAg3O2?
LiAg3O2 is a thermodynamically stable, semiconducting ternary oxide composed of lithium, silver, and oxygen.
What is LiAg3O2 used for?
What is the band gap of LiAg3O2?
Is LiAg3O2 a metal, semiconductor, or insulator?
Is LiAg3O2 thermodynamically stable?
What is the crystal structure of LiAg3O2?
How many polymorphs of LiAg3O2 are known?
What elements does LiAg3O2 contain?
Where does the data for LiAg3O2 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials in the lithium oxide class such as LiCoO2 or LiMn2O4, which are primarily valued for their electrochemical cycling properties in batteries, LiAg3O2 occupies a more niche space. While siblings like Li2O serve as fundamental binary oxides, LiAg3O2 leverages the electronic contributions of silver to differentiate its semiconducting behavior from the more common transition-metal-based oxides.
Related Compounds
Other Lithium 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- 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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