B4K4Li8O12
B4K4Li8O12 is a stable, wide-gap insulating borate compound composed of lithium, potassium, boron, and oxygen.
About B4K4Li8O12
B4K4Li8O12 is a complex borate compound characterized by its insulating electronic nature and high thermodynamic stability. As a material located on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions.
Its unique composition of boron, potassium, lithium, and oxygen positions it as an intriguing subject for solid-state research. The material is primarily studied for its structural diversity, with multiple documented configurations that highlight its potential utility in specialized inorganic chemistry applications.
Key Properties
Cross-validated computational properties for B4K4Li8O12, 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 B4K4Li8O12, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 4.00 | 0.0000 | -6.240 | 2.16 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 2.04 |
Applications
Where B4K4Li8O12 is used.
Frequently Asked Questions
Common questions about B4K4Li8O12, answered from cross-validated data.
What is B4K4Li8O12?
B4K4Li8O12 is a stable, wide-gap insulating borate compound composed of lithium, potassium, boron, and oxygen.
What is B4K4Li8O12 used for?
What is the band gap of B4K4Li8O12?
Is B4K4Li8O12 a metal, semiconductor, or insulator?
Is B4K4Li8O12 thermodynamically stable?
What is the crystal structure of B4K4Li8O12?
What is the density of B4K4Li8O12?
How many polymorphs of B4K4Li8O12 are known?
What elements does B4K4Li8O12 contain?
Where does the data for B4K4Li8O12 come from?
How It Compares
As a distinct inorganic borate, B4K4Li8O12 occupies a unique position in materials science where its structural stability sets a benchmark for similar multi-component oxide systems. It serves as a foundational example of how alkali metal integration with boron-oxygen frameworks can yield highly stable, insulating crystalline architectures.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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