B12Ge4O28Rb4
B12Ge4O28Rb4 is a complex, insulating borogermanate compound that is theoretically stable enough to be synthesized for material science research.
About B12Ge4O28Rb4
B12Ge4O28Rb4 is a complex borogermanate characterized by its insulating electronic nature. As a wide-gap material, it represents a specialized structural configuration within the borogermanate family, offering unique dielectric properties suitable for fundamental research into oxide-based insulators. Its structural complexity arises from the intricate arrangement of boron, germanium, and oxygen polyhedra balanced by rubidium cations. The compound is considered to be near the thermodynamic hull, indicating that it is a viable candidate for experimental synthesis and characterization. This stability profile makes it an intriguing subject for investigating phase formation in multi-component oxide systems.
Key Properties
Cross-validated computational properties for B12Ge4O28Rb4, 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 B12Ge4O28Rb4, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 4.59 | 0.0043 | -7.665 | 3.24 |
| Pna21 (No. 33) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.82 |
Applications
Where B12Ge4O28Rb4 is used.
Frequently Asked Questions
Common questions about B12Ge4O28Rb4, answered from cross-validated data.
What is B12Ge4O28Rb4?
B12Ge4O28Rb4 is a complex, insulating borogermanate compound that is theoretically stable enough to be synthesized for material science research.
What is B12Ge4O28Rb4 used for?
What is the band gap of B12Ge4O28Rb4?
Is B12Ge4O28Rb4 a metal, semiconductor, or insulator?
Is B12Ge4O28Rb4 thermodynamically stable?
What is the crystal structure of B12Ge4O28Rb4?
What is the density of B12Ge4O28Rb4?
How many polymorphs of B12Ge4O28Rb4 are known?
What elements does B12Ge4O28Rb4 contain?
Where does the data for B12Ge4O28Rb4 come from?
How It Compares
As a member of the borogermanate class, B12Ge4O28Rb4 occupies a distinct niche defined by its specific stoichiometry and insulating character. While many borogermanates are explored for their optical or structural versatility, this compound stands out due to its unique combination of alkali metal coordination and complex anionic framework, positioning it as a specialized material for future exploration in solid-state chemistry.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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