Ag12B20O36
This compound is a silver borate material characterized by its complex polyhedral structure. It is primarily studied in materials science for its structural properties and potential roles in advanced inorganic synthesis.
AgBO
Overview
Key Properties
Cross-validated computational properties for Ag12B20O36, 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.
1.80 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.
0.007 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ag12B20O36, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 1.80 | 0.0074 | -7.250 | 4.77 |
| No. 0 | unknown | — | — | — | 1.23 |
| — | — | — | — | — | 4.74 |
Uses
Applications
Where Ag12B20O36 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Ag12B20O36, answered from cross-validated data.
What is Ag12B20O36?
This compound is a silver borate material characterized by its complex polyhedral structure. It is primarily studied in materials science for its structural properties and potential roles in advanced inorganic synthesis.
More questions
What is Ag12B20O36 used for?
Ag12B20O36 is used in materials science research and solid-state chemistry studies.
What is the band gap of Ag12B20O36?
Ag12B20O36 has a DFT-computed band gap of 1.80 eV across 3 reported structures.
Is Ag12B20O36 a metal, semiconductor, or insulator?
With a band gap up to 1.80 eV it is a semiconductor.
Is Ag12B20O36 thermodynamically stable?
Ag12B20O36 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
What is the crystal structure of Ag12B20O36?
The lowest-energy reported polymorph of Ag12B20O36 is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of Ag12B20O36?
The computed density of the ground-state structure of Ag12B20O36 is 4.77 g/cm³.
How many polymorphs of Ag12B20O36 are known?
3 structures of Ag12B20O36 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ag12B20O36 contain?
Ag12B20O36 contains Ag, B, and O (3 elements).
Where does the data for Ag12B20O36 come from?
Ag12B20O36 data is cross-referenced from materials_project, cod, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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