B2H2O18P4Rb2Sc2
B2H2O18P4Rb2Sc2 is a thermodynamically stable, insulating inorganic compound composed of boron, hydrogen, oxygen, phosphorus, rubidium, and scandium.
About B2H2O18P4Rb2Sc2
B2H2O18P4Rb2Sc2 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a material residing on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions.
This material is of interest for fundamental research into complex borophosphate frameworks containing scandium and rubidium. Its wide-gap insulating behavior makes it a candidate for specialized dielectric applications where stability and specific electronic properties are required.
Key Properties
Cross-validated computational properties for B2H2O18P4Rb2Sc2, 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 B2H2O18P4Rb2Sc2, 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 | 4.81 | 0.0000 | -7.723 | 3.12 |
| No. 0 | unknown | — | — | — | 1.56 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where B2H2O18P4Rb2Sc2 is used.
Frequently Asked Questions
Common questions about B2H2O18P4Rb2Sc2, answered from cross-validated data.
What is B2H2O18P4Rb2Sc2?
B2H2O18P4Rb2Sc2 is a thermodynamically stable, insulating inorganic compound composed of boron, hydrogen, oxygen, phosphorus, rubidium, and scandium.
What is B2H2O18P4Rb2Sc2 used for?
What is the band gap of B2H2O18P4Rb2Sc2?
Is B2H2O18P4Rb2Sc2 a metal, semiconductor, or insulator?
Is B2H2O18P4Rb2Sc2 thermodynamically stable?
What is the crystal structure of B2H2O18P4Rb2Sc2?
What is the density of B2H2O18P4Rb2Sc2?
How many polymorphs of B2H2O18P4Rb2Sc2 are known?
What elements does B2H2O18P4Rb2Sc2 contain?
Where does the data for B2H2O18P4Rb2Sc2 come from?
How It Compares
As a unique inorganic phase, B2H2O18P4Rb2Sc2 serves as a distinct example of complex multi-element crystalline structures. It occupies a specialized niche within inorganic chemistry, demonstrating the potential for stable, wide-gap materials to form from intricate combinations of boron, phosphorus, and transition metals.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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