YBiO3
Yttrium bismuth oxide is a complex oxide material often studied for its structural and electronic properties. It is primarily utilized in materials science research to explore potential applications in advanced electronic components and functional ceramics.
BiOY
Overview
Key Properties
Cross-validated computational properties for YBiO3, 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.
1.69–3.07 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.
0.033 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.
27
3 databases, 7 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for YBiO3, 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. |
|---|---|---|---|---|---|
| R3c (No. 161) | trigonal | 3.07 | 0.0330 | -7.813 | 7.17 |
| R-3 (No. 148) | trigonal | 2.48 | 0.0477 | -7.799 | 7.19 |
| P63cm (No. 185) | hexagonal | 2.06 | 0.1201 | -7.726 | 6.95 |
| P63/mmc (No. 194) | hexagonal | 2.29 | 0.1553 | -7.691 | 6.82 |
| Pnma (No. 62) | orthorhombic | 1.69 | 0.1657 | -7.681 | 7.32 |
| Pm-3m (No. 221) | cubic | 0.00 | 1.0991 | -6.747 | 6.70 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.32 |
| R-3 (No. 148) | Trigonal | — | — | — | 7.19 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 7.22 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 6.82 |
| P63cm (No. 185) | Hexagonal | — | — | — | 7.18 |
| P63cm (No. 185) | Hexagonal | — | — | — | 6.95 |
Uses
Applications
Where YBiO3 is used.
Materials science researchFunctional ceramics developmentElectronic component studies
Reference
Frequently Asked Questions
Common questions about YBiO3, answered from cross-validated data.
What is YBiO3?
Yttrium bismuth oxide is a complex oxide material often studied for its structural and electronic properties. It is primarily utilized in materials science research to explore potential applications in advanced electronic components and functional ceramics.
More questions
What is YBiO3 used for?
YBiO3 is used in materials science research, functional ceramics development, and electronic component studies.
What is the band gap of YBiO3?
YBiO3 has a DFT-computed band gap of 1.69–3.07 eV across 27 reported structures.
Is YBiO3 a metal, semiconductor, or insulator?
With a wide band gap up to 3.07 eV it is an insulator / wide-band-gap material.
Is YBiO3 thermodynamically stable?
YBiO3 has a lowest energy above hull of 0.033 eV/atom (metastable).
What is the crystal structure of YBiO3?
The lowest-energy reported polymorph of YBiO3 is trigonal symmetry, space group R3c (No. 161).
What is the density of YBiO3?
The computed density of the ground-state structure of YBiO3 is 7.17 g/cm³.
How many polymorphs of YBiO3 are known?
27 structures of YBiO3 are reported across 3 databases, spanning 7 distinct space groups.
What elements does YBiO3 contain?
YBiO3 contains Bi, O, and Y (3 elements).
Where does the data for YBiO3 come from?
YBiO3 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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