LiMg14BO15
LiMg14BO15 is a complex lithium magnesium borate oxide that functions as a wide-gap insulating material.
About LiMg14BO15
LiMg14BO15 is a complex oxide compound incorporating lithium, magnesium, and boron. As a wide-gap insulator, it exhibits the characteristic electronic behavior of a stable dielectric material, though its position relative to the thermodynamic hull suggests it may be metastable under standard conditions.
This material is of interest for fundamental structural research due to its intricate stoichiometry. It serves as a subject for studying the coordination environments of magnesium and boron within a lithium-containing oxide framework, contributing to the broader understanding of complex multi-element oxide systems.
Key Properties
Cross-validated computational properties for LiMg14BO15, aggregated across 2 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 LiMg14BO15, 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. |
|---|---|---|---|---|---|
| Pmm2 (No. 25) | orthorhombic | 2.88 | 0.1801 | -6.166 | 3.23 |
| Pmm2 (No. 25) | orthorhombic | 3.68 | 0.1809 | -6.165 | 3.27 |
| Pmm2 (No. 25) | orthorhombic | 2.16 | 0.1994 | -6.146 | 3.21 |
| Pmm2 (No. 25) | orthorhombic | 1.91 | 0.2182 | -6.127 | 3.25 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.23 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.38 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.32 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.27 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.43 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.32 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.21 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.37 |
Applications
Where LiMg14BO15 is used.
Frequently Asked Questions
Common questions about LiMg14BO15, answered from cross-validated data.
What is LiMg14BO15?
LiMg14BO15 is a complex lithium magnesium borate oxide that functions as a wide-gap insulating material.
What is LiMg14BO15 used for?
What is the band gap of LiMg14BO15?
Is LiMg14BO15 a metal, semiconductor, or insulator?
Is LiMg14BO15 thermodynamically stable?
What is the crystal structure of LiMg14BO15?
What is the density of LiMg14BO15?
How many polymorphs of LiMg14BO15 are known?
What elements does LiMg14BO15 contain?
Where does the data for LiMg14BO15 come from?
How It Compares
As a unique lithium magnesium borate, this compound represents a specialized structural motif within the landscape of complex oxides. While it lacks direct siblings in this specific dataset, its synthesis and structural analysis provide critical data for predicting the stability of similar multi-cation borate phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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