B16Ca2H8O30
B16Ca2H8O30 is a thermodynamically stable, insulating calcium borate compound known for its complex structural arrangements.
About B16Ca2H8O30
B16Ca2H8O30 is a complex borate-based inorganic compound characterized by its insulating electronic structure. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a significant subject for structural analysis and materials characterization. The material is noted for its structural complexity, as evidenced by multiple reported crystallographic configurations. Its stable nature and insulating properties make it a subject of interest for fundamental studies into the behavior of hydrated borate frameworks.
Key Properties
Cross-validated computational properties for B16Ca2H8O30, 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 B16Ca2H8O30, 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 | 5.59 | 0.0000 | -7.718 | 2.06 |
| No. 0 | unknown | — | — | — | 1.07 |
| P21 (No. 4) | — | — | — | — | — |
| P21 (No. 4) | — | — | — | — | — |
| P21 (No. 4) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.07 |
Applications
Where B16Ca2H8O30 is used.
Frequently Asked Questions
Common questions about B16Ca2H8O30, answered from cross-validated data.
What is B16Ca2H8O30?
B16Ca2H8O30 is a thermodynamically stable, insulating calcium borate compound known for its complex structural arrangements.
What is B16Ca2H8O30 used for?
What is the band gap of B16Ca2H8O30?
Is B16Ca2H8O30 a metal, semiconductor, or insulator?
Is B16Ca2H8O30 thermodynamically stable?
What is the crystal structure of B16Ca2H8O30?
What is the density of B16Ca2H8O30?
How many polymorphs of B16Ca2H8O30 are known?
What elements does B16Ca2H8O30 contain?
Where does the data for B16Ca2H8O30 come from?
How It Compares
As a unique hydrated borate, this compound serves as a distinct reference point for understanding the structural diversity of calcium-boron-oxygen systems. It occupies a stable niche in the chemical landscape, providing a baseline for investigating how hydration and stoichiometry influence the stability of complex borate lattices.
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).
Analyze B16Ca2H8O30 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →