B16Bi4O30
B16Bi4O30 is a stable, wide-gap insulating bismuth borate compound that is theoretically accessible for synthesis and material development.
About B16Bi4O30
B16Bi4O30 is an insulating bismuth borate compound characterized by a wide electronic band gap. Its structural complexity and composition suggest potential for specialized optical or dielectric applications where insulating behavior is critical.
As a near-hull phase, this material is considered thermodynamically accessible for experimental synthesis. Its presence across multiple structural databases highlights its significance as a stable, well-defined inorganic compound within the bismuth-boron-oxygen system.
Key Properties
Cross-validated computational properties for B16Bi4O30, aggregated across 4 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 B16Bi4O30, 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 | 4.36 | 0.0027 | -8.044 | 4.14 |
| P-1 (No. 2) | triclinic | 4.07 | 0.0028 | -8.044 | 4.17 |
| — | — | — | — | — | 3.85 |
| P21 (No. 4) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.08 |
| No. 0 | unknown | — | — | — | 2.05 |
Applications
Where B16Bi4O30 is used.
Frequently Asked Questions
Common questions about B16Bi4O30, answered from cross-validated data.
What is B16Bi4O30?
B16Bi4O30 is a stable, wide-gap insulating bismuth borate compound that is theoretically accessible for synthesis and material development.
What is B16Bi4O30 used for?
What is the band gap of B16Bi4O30?
Is B16Bi4O30 a metal, semiconductor, or insulator?
Is B16Bi4O30 thermodynamically stable?
What is the crystal structure of B16Bi4O30?
What is the density of B16Bi4O30?
How many polymorphs of B16Bi4O30 are known?
What elements does B16Bi4O30 contain?
Where does the data for B16Bi4O30 come from?
How It Compares
As a unique inorganic compound, B16Bi4O30 represents a distinct structural arrangement within the bismuth borate family, serving as a reference point for investigating the interplay between heavy metal cations and borate polyhedra in insulating frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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