Y2Bi2O7
Yttrium bismuth oxide, Yttrium bismuthate
Yttrium bismuth oxide is a complex inorganic oxide belonging to the pyrochlore structural family. It is primarily researched for its potential functional properties in advanced electronic and catalytic materials.
BiOY
Overview
Key Properties
Cross-validated computational properties for Y2Bi2O7, 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.
0.12 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.
0.063 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.
10
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Y2Bi2O7, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 0.00 | 0.0635 | -7.569 | 7.16 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0764 | -7.556 | 7.19 |
| C2/m (No. 12) | monoclinic | 0.12 | 0.0785 | -7.554 | 5.76 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.76 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.09 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.92 |
| Fd-3m (No. 227) | Cubic | — | — | — | 7.19 |
| Fd-3m (No. 227) | Cubic | — | — | — | 7.39 |
| C2/m (No. 12) | — | — | — | — | — |
| Fd-3m (No. 227) | Cubic | — | — | — | 7.59 |
Uses
Applications
Where Y2Bi2O7 is used.
Solid oxide fuel cell researchPhotocatalysisDielectric material studies
Reference
Frequently Asked Questions
Common questions about Y2Bi2O7, answered from cross-validated data.
What is Y2Bi2O7?
Yttrium bismuth oxide is a complex inorganic oxide belonging to the pyrochlore structural family. It is primarily researched for its potential functional properties in advanced electronic and catalytic materials.
More questions
What is Y2Bi2O7 used for?
Y2Bi2O7 is used in solid oxide fuel cell research, photocatalysis, and dielectric material studies.
What is the band gap of Y2Bi2O7?
Y2Bi2O7 has a DFT-computed band gap of 0.12 eV across 10 reported structures.
Is Y2Bi2O7 a metal, semiconductor, or insulator?
With a band gap up to 0.12 eV it is a semiconductor.
Is Y2Bi2O7 thermodynamically stable?
Y2Bi2O7 has a lowest energy above hull of 0.063 eV/atom (metastable).
What is the crystal structure of Y2Bi2O7?
The lowest-energy reported polymorph of Y2Bi2O7 is monoclinic symmetry, space group P21 (No. 4).
What is the density of Y2Bi2O7?
The computed density of the ground-state structure of Y2Bi2O7 is 7.16 g/cm³.
How many polymorphs of Y2Bi2O7 are known?
10 structures of Y2Bi2O7 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Y2Bi2O7 contain?
Y2Bi2O7 contains Bi, O, and Y (3 elements).
Where does the data for Y2Bi2O7 come from?
Y2Bi2O7 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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