AgBaO2
This inorganic compound is a complex oxide containing silver and barium. It is primarily studied by researchers investigating the structural and electronic properties of mixed-metal oxides in solid-state chemistry.
AgBaO
Overview
Key Properties
Cross-validated computational properties for AgBaO2, 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.
0.73 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.
5
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AgBaO2, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0000 | -5.415 | 6.78 |
| C2/m (No. 12) | monoclinic | 0.73 | 0.0344 | -5.381 | 6.14 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0430 | -5.372 | 6.28 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 6.95 |
Uses
Applications
Where AgBaO2 is used.
Solid-state researchMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about AgBaO2, answered from cross-validated data.
What is AgBaO2?
This inorganic compound is a complex oxide containing silver and barium. It is primarily studied by researchers investigating the structural and electronic properties of mixed-metal oxides in solid-state chemistry.
More questions
What is AgBaO2 used for?
AgBaO2 is used in solid-state research and materials science experimentation.
What is the band gap of AgBaO2?
AgBaO2 has a DFT-computed band gap of 0.73 eV across 5 reported structures.
Is AgBaO2 a metal, semiconductor, or insulator?
With a band gap up to 0.73 eV it is a semiconductor.
Is AgBaO2 thermodynamically stable?
Yes — AgBaO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AgBaO2?
The lowest-energy reported polymorph of AgBaO2 is tetragonal symmetry, space group P4/mmm (No. 123).
What is the density of AgBaO2?
The computed density of the ground-state structure of AgBaO2 is 6.78 g/cm³.
How many polymorphs of AgBaO2 are known?
5 structures of AgBaO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does AgBaO2 contain?
AgBaO2 contains Ag, Ba, and O (3 elements).
Where does the data for AgBaO2 come from?
AgBaO2 data is cross-referenced from materials_project, nomad, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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