LaAgO2
LaAgO2 is a thermodynamically stable semiconducting oxide compound characterized by its robust structural properties.
About LaAgO2
LaAgO2 is a thermodynamically stable inorganic compound that sits firmly on the convex hull, indicating significant structural robustness. As a semiconducting material, it offers a unique electronic profile that makes it a subject of interest for researchers investigating oxide-based electronics and functional materials.
With multiple structural variants reported across databases, this compound demonstrates a versatile lattice configuration. Its stability and semiconducting nature suggest it could serve as a foundational building block for future developments in specialized electronic and optoelectronic device architectures.
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.
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 LaAgO2. 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 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. |
|---|---|---|---|---|---|
| — | — | 3.03 | 0.0000 | -2.434 | — |
| R-3m (No. 166) | trigonal | 2.84 | 0.0000 | -6.987 | 5.98 |
| P63/mmc (No. 194) | hexagonal | 2.81 | 0.0003 | -6.987 | 5.98 |
| R-3m (No. 166) | trigonal | 3.11 | 0.0066 | -2.381 | — |
| R-3m (No. 166) | trigonal | — | — | — | 6.09 |
| R-3m (No. 166) | trigonal | — | — | — | 5.83 |
| P63/mmc (No. 194) | hexagonal | — | — | — | 5.82 |
| P63/mmc (No. 194) | hexagonal | — | — | — | 5.98 |
| R-3m (No. 166) | trigonal | — | — | — | 5.98 |
| P63/mmc (No. 194) | hexagonal | — | — | — | 6.10 |
Applications
Where LaAgO2 is used.
Frequently Asked Questions
Common questions about LaAgO2, answered from cross-validated data.
What is LaAgO2?
LaAgO2 is a thermodynamically stable semiconducting oxide compound characterized by its robust structural properties.
What is LaAgO2 used for?
What is the band gap of LaAgO2?
Is LaAgO2 a metal, semiconductor, or insulator?
Is LaAgO2 thermodynamically stable?
What is the crystal structure of LaAgO2?
What is the density of LaAgO2?
How many polymorphs of LaAgO2 are known?
What elements does LaAgO2 contain?
Where does the data for LaAgO2 come from?
How It Compares
As a thermodynamically stable semiconductor, LaAgO2 represents a reliable candidate within the broader landscape of ternary silver-lanthanum oxides. Its position on the convex hull distinguishes it as a highly stable phase, providing a predictable platform for experimental synthesis and material characterization compared to more metastable counterparts in the oxide family.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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