B8Ca8Li8O24
B8Ca8Li8O24 is a stable, wide-band-gap insulating oxide compound containing boron, calcium, and lithium.
About B8Ca8Li8O24
B8Ca8Li8O24 is a complex inorganic compound composed of boron, calcium, lithium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that maintains its integrity under standard conditions. Its nature as a wide-band-gap insulator suggests that it does not readily conduct electricity, making it a subject of interest for specialized dielectric or optical applications.
Given its multi-element composition, this material offers a unique structural framework that researchers are actively investigating across multiple crystallographic databases. Its stability and insulating character position it as a candidate for fundamental studies in solid-state chemistry, particularly where high-performance, non-conductive oxide materials are required.
Key Properties
Cross-validated computational properties for B8Ca8Li8O24, 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 B8Ca8Li8O24, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 5.04 | 0.0000 | -7.252 | 2.76 |
| Ibca (No. 73) | orthorhombic | 5.19 | 0.0025 | -7.249 | 2.78 |
| — | — | — | — | — | 2.75 |
| Pbca (No. 61) | — | — | — | — | — |
Applications
Where B8Ca8Li8O24 is used.
Frequently Asked Questions
Common questions about B8Ca8Li8O24, answered from cross-validated data.
What is B8Ca8Li8O24?
B8Ca8Li8O24 is a stable, wide-band-gap insulating oxide compound containing boron, calcium, and lithium.
What is B8Ca8Li8O24 used for?
What is the band gap of B8Ca8Li8O24?
Is B8Ca8Li8O24 a metal, semiconductor, or insulator?
Is B8Ca8Li8O24 thermodynamically stable?
What is the crystal structure of B8Ca8Li8O24?
What is the density of B8Ca8Li8O24?
How many polymorphs of B8Ca8Li8O24 are known?
What elements does B8Ca8Li8O24 contain?
Where does the data for B8Ca8Li8O24 come from?
How It Compares
As a member of the complex borate-oxide family, B8Ca8Li8O24 stands out for its thermodynamic stability and specific stoichiometry. While many similar multi-component oxides are metastable or difficult to synthesize, this compound occupies a favorable position on the convex hull, indicating a high degree of structural reliability compared to less stable, hypothetical phases in its chemical space.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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