B4Ca4O10
B4Ca4O10 is a thermodynamically stable calcium borate insulator composed of boron, calcium, and oxygen.
About B4Ca4O10
B4Ca4O10 is a calcium borate compound characterized by its wide-band-gap insulating electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of boron, calcium, and oxygen atoms. Its inherent stability makes it a significant subject for researchers investigating the fundamental properties of complex borate systems. The material's electronic profile suggests potential utility in applications requiring high-performance dielectric or insulating properties. Its existence across multiple reported structures highlights its structural versatility and importance in the broader context of inorganic borate chemistry.
Key Properties
Cross-validated computational properties for B4Ca4O10, 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 B4Ca4O10, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 4.71 | 0.0000 | -7.922 | 2.78 |
| P21/c (No. 14) | monoclinic | 4.68 | 0.0001 | -7.922 | 2.78 |
| P21/c (No. 14) | monoclinic | 4.74 | 0.0048 | -7.917 | 2.82 |
| — | — | — | — | — | 2.14 |
| No. 0 | unknown | — | — | — | 0.70 |
| No. 0 | unknown | — | — | — | 0.69 |
| No. 0 | unknown | — | — | — | 0.70 |
Applications
Where B4Ca4O10 is used.
Frequently Asked Questions
Common questions about B4Ca4O10, answered from cross-validated data.
What is B4Ca4O10?
B4Ca4O10 is a thermodynamically stable calcium borate insulator composed of boron, calcium, and oxygen.
What is B4Ca4O10 used for?
What is the band gap of B4Ca4O10?
Is B4Ca4O10 a metal, semiconductor, or insulator?
Is B4Ca4O10 thermodynamically stable?
What is the crystal structure of B4Ca4O10?
What is the density of B4Ca4O10?
How many polymorphs of B4Ca4O10 are known?
What elements does B4Ca4O10 contain?
Where does the data for B4Ca4O10 come from?
How It Compares
As a thermodynamically stable member of the calcium borate family, B4Ca4O10 serves as a foundational reference point for understanding the phase space of alkaline earth borates. Its stability ensures it remains a reliable candidate for materials design compared to more metastable or transient borate phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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