Bi2B2O7
Bi2B2O7 is a metastable semiconducting bismuth borate compound characterized by its complex structural arrangements.
About Bi2B2O7
Bi2B2O7 is a complex bismuth borate that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural configuration within the bismuth-boron-oxygen system, offering researchers a distinct platform for studying phase transitions and material synthesis pathways. Its existence across multiple reported structures highlights the structural flexibility inherent in this chemical composition. The compound is of significant interest in materials science due to the interplay between the heavy bismuth cation and the borate framework, which influences its electronic and optical properties. While its metastable nature presents challenges for synthesis, it also suggests potential for specialized applications where non-equilibrium phases are advantageous.
Key Properties
Cross-validated computational properties for Bi2B2O7, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Bi2B2O7, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.22 | 0.0870 | -7.082 | 6.67 |
| P-1 (No. 2) | triclinic | 0.51 | 0.0877 | -7.082 | 6.01 |
| P-1 (No. 2) | triclinic | 0.20 | 0.3621 | -6.807 | 6.11 |
| P-1 (No. 2) | triclinic | 0.95 | 0.3689 | -6.800 | 5.44 |
| P-1 (No. 2) | triclinic | 0.00 | 0.3977 | -6.772 | 6.86 |
| P-1 (No. 2) | triclinic | 0.00 | 2.7647 | -4.405 | 5.44 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.01 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.37 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.10 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.89 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.19 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Bi2B2O7 is used.
Frequently Asked Questions
Common questions about Bi2B2O7, answered from cross-validated data.
What is Bi2B2O7?
Bi2B2O7 is a metastable semiconducting bismuth borate compound characterized by its complex structural arrangements.
What is Bi2B2O7 used for?
What is the band gap of Bi2B2O7?
Is Bi2B2O7 a metal, semiconductor, or insulator?
Is Bi2B2O7 thermodynamically stable?
What is the crystal structure of Bi2B2O7?
What is the density of Bi2B2O7?
How many polymorphs of Bi2B2O7 are known?
What elements does Bi2B2O7 contain?
Where does the data for Bi2B2O7 come from?
How It Compares
As a distinct inorganic compound, Bi2B2O7 serves as a key reference point for understanding the structural diversity of bismuth borates. It occupies a specialized niche in the landscape of semiconducting oxides, providing a baseline for exploring how bismuth incorporation modifies the properties of borate-based frameworks.
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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