LiAgO
Lithium silver oxide is a ternary inorganic compound composed of lithium, silver, and oxygen. It is primarily studied in the context of solid-state chemistry and materials science research regarding its structural properties.
Overview
Key Properties
Cross-validated computational properties for LiAgO, 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.
1.22 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
12
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiAgO, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 1.22 | 0.0000 | -4.488 | 5.52 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.79 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 4.39 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 4.85 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.44 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.17 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.47 |
| P-6m2 (No. 187) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
Uses
Applications
Where LiAgO is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about LiAgO, answered from cross-validated data.
What is LiAgO?
Lithium silver oxide is a ternary inorganic compound composed of lithium, silver, and oxygen. It is primarily studied in the context of solid-state chemistry and materials science research regarding its structural properties.
More questions
What is LiAgO used for?
LiAgO is used in materials science research and solid-state chemistry studies.
What is the band gap of LiAgO?
LiAgO has a DFT-computed band gap of 1.22 eV across 12 reported structures.
Is LiAgO a metal, semiconductor, or insulator?
With a band gap up to 1.22 eV it is a semiconductor.
Is LiAgO thermodynamically stable?
Yes — LiAgO sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiAgO?
The lowest-energy reported polymorph of LiAgO is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of LiAgO?
The computed density of the ground-state structure of LiAgO is 5.52 g/cm³.
How many polymorphs of LiAgO are known?
12 structures of LiAgO are reported across 3 databases, spanning 7 distinct space groups.
What elements does LiAgO contain?
LiAgO contains Ag, Li, and O (3 elements).
Where does the data for LiAgO come from?
LiAgO data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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