LaAgO2
Lanthanum silver oxide is a ternary oxide material that belongs to the delafossite structure family. It is primarily studied in materials science for its electronic and structural properties in the context of advanced ceramic research.
AgLaO
Overview
Key Properties
Cross-validated computational properties for LaAgO2, 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.
2.83 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.
9
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LaAgO2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 2.83 | 0.0000 | -6.987 | 5.98 |
| P63/mmc (No. 194) | hexagonal | 2.80 | 0.0003 | -6.987 | 5.98 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.83 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.09 |
| R-3m (No. 166) | — | — | — | — | — |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 6.10 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.98 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.82 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.98 |
Uses
Applications
Where LaAgO2 is used.
Solid-state chemistry researchSemiconductor material studiesCatalysis research
Reference
Frequently Asked Questions
Common questions about LaAgO2, answered from cross-validated data.
What is LaAgO2?
Lanthanum silver oxide is a ternary oxide material that belongs to the delafossite structure family. It is primarily studied in materials science for its electronic and structural properties in the context of advanced ceramic research.
More questions
What is LaAgO2 used for?
LaAgO2 is used in solid-state chemistry research, semiconductor material studies, and catalysis research.
What is the band gap of LaAgO2?
LaAgO2 has a DFT-computed band gap of 2.83 eV across 9 reported structures.
Is LaAgO2 a metal, semiconductor, or insulator?
With a band gap up to 2.83 eV it is a semiconductor.
Is LaAgO2 thermodynamically stable?
Yes — LaAgO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LaAgO2?
The lowest-energy reported polymorph of LaAgO2 is trigonal symmetry, space group R-3m (No. 166).
What is the density of LaAgO2?
The computed density of the ground-state structure of LaAgO2 is 5.98 g/cm³.
How many polymorphs of LaAgO2 are known?
9 structures of LaAgO2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does LaAgO2 contain?
LaAgO2 contains Ag, La, and O (3 elements).
Where does the data for LaAgO2 come from?
LaAgO2 data is cross-referenced from materials_project, mpaloe, jarvis.
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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