B2H2K2O18P4Sc2
B2H2K2O18P4Sc2 is a thermodynamically stable, wide-gap insulating compound composed of potassium, scandium, boron, phosphorus, and oxygen.
About B2H2K2O18P4Sc2
B2H2K2O18P4Sc2 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 structural configuration that maintains integrity under standard conditions.
This compound is of significant interest for fundamental research into complex phosphate-borate-scandium frameworks. Its wide-gap electronic profile makes it a candidate for specialized applications where stable, non-conductive inorganic matrices are required for structural or optical utility.
Key Properties
Cross-validated computational properties for B2H2K2O18P4Sc2, 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 B2H2K2O18P4Sc2, 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 | 4.85 | 0.0000 | -7.735 | 2.68 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.40 |
Applications
Where B2H2K2O18P4Sc2 is used.
Frequently Asked Questions
Common questions about B2H2K2O18P4Sc2, answered from cross-validated data.
What is B2H2K2O18P4Sc2?
B2H2K2O18P4Sc2 is a thermodynamically stable, wide-gap insulating compound composed of potassium, scandium, boron, phosphorus, and oxygen.
What is B2H2K2O18P4Sc2 used for?
What is the band gap of B2H2K2O18P4Sc2?
Is B2H2K2O18P4Sc2 a metal, semiconductor, or insulator?
Is B2H2K2O18P4Sc2 thermodynamically stable?
What is the crystal structure of B2H2K2O18P4Sc2?
What is the density of B2H2K2O18P4Sc2?
How many polymorphs of B2H2K2O18P4Sc2 are known?
What elements does B2H2K2O18P4Sc2 contain?
Where does the data for B2H2K2O18P4Sc2 come from?
How It Compares
As a unique inorganic framework, B2H2K2O18P4Sc2 occupies a distinct niche in materials science. Unlike simpler binary or ternary oxides, its intricate composition allows for highly specific structural arrangements that are rarely found in more common material classes, providing a stable platform for exploring complex lattice dynamics.
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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