B12Li4O20
B12Li4O20 is a thermodynamically stable, insulating lithium borate oxide that serves as a specialized structural material.
About B12Li4O20
B12Li4O20 is a complex lithium borate oxide that functions as a wide-gap insulator. Its electronic structure is characterized by a significant energy separation between the valence and conduction bands, making it a highly resistive material in its pure state. The compound is recognized for its near-hull thermodynamic stability, suggesting that it is a viable target for experimental synthesis and structural characterization. As a member of the lithium oxide family, it represents a specialized arrangement of boron and oxygen polyhedra coordinated with lithium cations. This structural complexity allows for diverse potential applications in solid-state ionics and dielectric material development, where stable, insulating lithium-based frameworks are required.
Key Properties
Cross-validated computational properties for B12Li4O20, 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 B12Li4O20, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 6.48 | 0.0066 | -7.998 | 2.49 |
| Pnma (No. 62) | orthorhombic | 6.17 | 0.0451 | -7.960 | 2.83 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 0.61 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 0.62 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 0.61 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 0.61 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 0.61 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 0.60 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 0.61 |
| Pna21 (No. 33) | — | — | — | — | — |
| Pna21 (No. 33) | orthorhombic | — | — | — | 0.61 |
| Pna21 (No. 33) | orthorhombic | — | — | — | 0.61 |
Applications
Where B12Li4O20 is used.
Frequently Asked Questions
Common questions about B12Li4O20, answered from cross-validated data.
What is B12Li4O20?
B12Li4O20 is a thermodynamically stable, insulating lithium borate oxide that serves as a specialized structural material.
What is B12Li4O20 used for?
What is the band gap of B12Li4O20?
Is B12Li4O20 a metal, semiconductor, or insulator?
Is B12Li4O20 thermodynamically stable?
What is the crystal structure of B12Li4O20?
What is the density of B12Li4O20?
How many polymorphs of B12Li4O20 are known?
What elements does B12Li4O20 contain?
Where does the data for B12Li4O20 come from?
How It Compares
Within the lithium oxides class.
Unlike the transition-metal-based lithium oxides such as LiNiO2, LiMn2O4, and LiCoO2, which are prized for their redox activity and electrochemical performance in battery cathodes, B12Li4O20 acts as a structural insulator. While siblings like Li2O serve as fundamental binary components, B12Li4O20 offers a more intricate, boron-rich lattice that contrasts with the simpler structural motifs found in Li4SiO4 or Li2TiO3.
Related Compounds
Other Lithium Oxides in the database.
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).
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