Bi20Br4O28
Bi20Br4O28 is a semiconducting bismuth oxybromide compound that is theoretically stable enough to be synthesized in a laboratory setting.
About Bi20Br4O28
Bi20Br4O28 is a complex bismuth-based oxyhalide characterized by its semiconducting electronic nature. Its composition reflects a delicate balance of bismuth, bromine, and oxygen, positioning it as a material of interest for fundamental solid-state research.
As a near-hull stable phase, this compound is considered a viable candidate for experimental synthesis. Its existence within multiple structural databases underscores its significance as a distinct member of the bismuth oxyhalide family, offering potential for future functional material development.
Key Properties
Cross-validated computational properties for Bi20Br4O28, 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 Bi20Br4O28, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 2.92 | 0.0107 | -5.910 | 7.71 |
| Cmce (No. 64) | — | — | — | — | — |
| — | — | — | — | — | 5.18 |
Applications
Where Bi20Br4O28 is used.
Frequently Asked Questions
Common questions about Bi20Br4O28, answered from cross-validated data.
What is Bi20Br4O28?
Bi20Br4O28 is a semiconducting bismuth oxybromide compound that is theoretically stable enough to be synthesized in a laboratory setting.
What is Bi20Br4O28 used for?
What is the band gap of Bi20Br4O28?
Is Bi20Br4O28 a metal, semiconductor, or insulator?
Is Bi20Br4O28 thermodynamically stable?
What is the crystal structure of Bi20Br4O28?
What is the density of Bi20Br4O28?
How many polymorphs of Bi20Br4O28 are known?
What elements does Bi20Br4O28 contain?
Where does the data for Bi20Br4O28 come from?
How It Compares
As a unique bismuth oxybromide, Bi20Br4O28 represents a specialized stoichiometry within the broader landscape of bismuth-based semiconductors. Without direct structural siblings in this specific class, it stands as a distinct example of how bismuth and bromine can coordinate with oxygen to form complex, stable architectures.
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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