Ag3BO3
Silver orthoborate · Silver borate
Silver orthoborate is a chemical compound consisting of silver, boron, and oxygen. It is primarily studied for its potential roles in advanced materials science and optical applications.
AgBO
Overview
Key Properties
Cross-validated computational properties for Silver orthoborate, 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.
0.87 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.
0.016 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ag3BO3, 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-3c (No. 167) | trigonal | 0.87 | 0.0159 | -5.494 | 6.65 |
| R32 (No. 155) | trigonal | 0.00 | 0.0681 | -5.442 | 6.40 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R32 (No. 155) | — | — | — | — | — |
| R32 (No. 155) | — | — | — | — | — |
Uses
Applications
Where Silver orthoborate is used.
Materials science researchOptical material development
Reference
Frequently Asked Questions
Common questions about Silver orthoborate, answered from cross-validated data.
What is Ag3BO3?
Silver orthoborate is a chemical compound consisting of silver, boron, and oxygen. It is primarily studied for its potential roles in advanced materials science and optical applications.
More questions
What is Ag3BO3 used for?
Silver orthoborate (Ag3BO3) is used in materials science research and optical material development.
What is the band gap of Ag3BO3?
Silver orthoborate (Ag3BO3) has a DFT-computed band gap of 0.87 eV across 7 reported structures.
Is Ag3BO3 a metal, semiconductor, or insulator?
With a band gap up to 0.87 eV it is a semiconductor.
Is Ag3BO3 thermodynamically stable?
Silver orthoborate (Ag3BO3) has a lowest energy above hull of 0.016 eV/atom (near hull (likely stable)).
What is the crystal structure of Ag3BO3?
The lowest-energy reported polymorph of Silver orthoborate (Ag3BO3) is trigonal symmetry, space group R-3c (No. 167).
What is the density of Ag3BO3?
The computed density of the ground-state structure of Silver orthoborate (Ag3BO3) is 6.65 g/cm³.
How many polymorphs of Ag3BO3 are known?
7 structures of Ag3BO3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ag3BO3 contain?
Silver orthoborate (Ag3BO3) contains Ag, B, and O (3 elements).
Where does the data for Ag3BO3 come from?
Ag3BO3 data is cross-referenced from materials_project, alexandria, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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