Ag2Nb6O16
This complex oxide is a silver-based niobate material often studied for its structural properties and potential in advanced electronic applications. It is primarily investigated by researchers exploring new inorganic compounds with unique crystalline arrangements for specialized functional uses.
AgNbO
Overview
Key Properties
Cross-validated computational properties for Ag2Nb6O16, 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.
1.56 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.
0.036 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Ag2Nb6O16, 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. |
|---|---|---|---|---|---|
| Ibam (No. 72) | orthorhombic | 1.56 | 0.0365 | -8.719 | 6.04 |
| Ibam (No. 72) | — | — | — | — | — |
| — | — | — | — | — | 6.05 |
Uses
Applications
Where Ag2Nb6O16 is used.
Materials science researchSolid-state chemistry studiesPotential electronic component development
Reference
Frequently Asked Questions
Common questions about Ag2Nb6O16, answered from cross-validated data.
What is Ag2Nb6O16?
This complex oxide is a silver-based niobate material often studied for its structural properties and potential in advanced electronic applications. It is primarily investigated by researchers exploring new inorganic compounds with unique crystalline arrangements for specialized functional uses.
What is Ag2Nb6O16 used for?
Ag2Nb6O16 is used in materials science research, solid-state chemistry studies, and potential electronic component development.
What is the band gap of Ag2Nb6O16?
Ag2Nb6O16 has a DFT-computed band gap of 1.56 eV across 3 reported structures.
Is Ag2Nb6O16 a metal, semiconductor, or insulator?
With a band gap up to 1.56 eV it is a semiconductor.
Is Ag2Nb6O16 thermodynamically stable?
Ag2Nb6O16 has a lowest energy above hull of 0.036 eV/atom (metastable).
What is the crystal structure of Ag2Nb6O16?
The lowest-energy reported polymorph of Ag2Nb6O16 is orthorhombic symmetry, space group Ibam (No. 72).
What is the density of Ag2Nb6O16?
The computed density of the ground-state structure of Ag2Nb6O16 is 6.04 g/cm³.
How many polymorphs of Ag2Nb6O16 are known?
3 structures of Ag2Nb6O16 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ag2Nb6O16 contain?
Ag2Nb6O16 contains Ag, Nb, and O (3 elements).
Where does the data for Ag2Nb6O16 come from?
Ag2Nb6O16 data is cross-referenced from materials_project, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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