CaB3H5O8
CaB3H5O8 is a thermodynamically stable, insulating calcium borate compound that is considered a viable target for laboratory synthesis.
About CaB3H5O8
CaB3H5O8 is a complex inorganic compound composed of calcium, boron, hydrogen, and oxygen. As a wide-band-gap insulator, it exhibits electronic properties characteristic of stable dielectric materials, making it a subject of interest for fundamental solid-state studies.
This material is classified as near-hull, indicating that it is thermodynamically stable and likely synthesizable under appropriate conditions. Its structural profile suggests a robust framework that warrants further investigation for specialized applications in materials science.
Key Properties
Cross-validated computational properties for CaB3H5O8, 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 CaB3H5O8, 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 | 5.70 | 0.0098 | -6.895 | 2.37 |
| P21/c (No. 14) | monoclinic | 5.52 | 0.0142 | -6.890 | 2.47 |
| No. 0 | unknown | — | — | — | 0.61 |
| P21 (No. 4) | — | — | — | — | — |
Applications
Where CaB3H5O8 is used.
Frequently Asked Questions
Common questions about CaB3H5O8, answered from cross-validated data.
What is CaB3H5O8?
CaB3H5O8 is a thermodynamically stable, insulating calcium borate compound that is considered a viable target for laboratory synthesis.
What is CaB3H5O8 used for?
What is the band gap of CaB3H5O8?
Is CaB3H5O8 a metal, semiconductor, or insulator?
Is CaB3H5O8 thermodynamically stable?
What is the crystal structure of CaB3H5O8?
What is the density of CaB3H5O8?
How many polymorphs of CaB3H5O8 are known?
What elements does CaB3H5O8 contain?
Where does the data for CaB3H5O8 come from?
How It Compares
As a unique inorganic compound, CaB3H5O8 represents a distinct structural configuration within its chemical family. While it currently stands as a singular entry in its immediate research context, its stability profile positions it as a promising candidate for comparative studies against other hydrated calcium borates.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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