AgBO2
AgBO2 is a semiconducting silver borate compound that is theoretically stable and likely synthesizable for materials science applications.
About AgBO2
AgBO2 is a semiconducting ternary oxide composed of silver, boron, and oxygen. As a near-hull material, it occupies a favorable energetic position that suggests it is likely synthesizable under controlled experimental conditions. Its structural diversity is highlighted by multiple reported configurations across various databases, marking it as a subject of interest for fundamental solid-state studies.
This compound represents an intriguing intersection of noble metal chemistry and borate framework structures. Its semiconducting nature makes it a candidate for investigation in electronic and optoelectronic applications where specific charge transport properties are required. Ongoing research into its stability continues to clarify its role in complex oxide systems.
Key Properties
Cross-validated computational properties for AgBO2, aggregated across 5 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 AgBO2. 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 AgBO2, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 1.15 | 0.0100 | -6.738 | 5.29 |
| — | — | 1.02 | 0.0706 | -1.678 | — |
| — | — | 1.26 | 0.1005 | -1.648 | — |
| — | — | 0.84 | 0.7762 | -0.973 | — |
| Pm (No. 6) | monoclinic | — | — | — | 6.62 |
| Pbcn (No. 60) | orthorhombic | — | — | — | 5.54 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.96 |
| R-3m (No. 166) | trigonal | — | — | — | 4.61 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.49 |
Applications
Where AgBO2 is used.
Frequently Asked Questions
Common questions about AgBO2, answered from cross-validated data.
What is AgBO2?
AgBO2 is a semiconducting silver borate compound that is theoretically stable and likely synthesizable for materials science applications.
What is AgBO2 used for?
What is the band gap of AgBO2?
Is AgBO2 a metal, semiconductor, or insulator?
Is AgBO2 thermodynamically stable?
What is the crystal structure of AgBO2?
What is the density of AgBO2?
How many polymorphs of AgBO2 are known?
What elements does AgBO2 contain?
Where does the data for AgBO2 come from?
How It Compares
As a unique ternary silver borate, AgBO2 serves as a specialized example of metal-boron-oxygen chemistry. Without direct structural analogs in its immediate class, it stands as a distinct candidate for exploring how silver integration influences the electronic behavior of borate frameworks compared to more common alkaline earth or transition metal borates.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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