LiMnBO3
LiMnBO3 is a stable, wide-band-gap insulating borate compound that serves as a structural variant within the layered lithium transition-metal oxide family.
About LiMnBO3
LiMnBO3 is a thermodynamically stable lithium manganese borate that belongs to the broader family of layered lithium transition-metal oxides. Its structure is characterized by a wide-band-gap insulating electronic profile, which distinguishes it from more conductive metallic oxides in this class.
This compound is of significant interest in materials science due to its structural diversity, with numerous reported configurations across various databases. Its stability on the convex hull makes it a robust candidate for fundamental research into lithium-ion storage mechanisms and advanced battery materials.
Key Properties
Cross-validated computational properties for LiMnBO3, 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 LiMnBO3, 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. |
|---|---|---|---|---|---|
| P-6 (No. 174) | hexagonal | 2.56 | 0.0007 | -7.947 | 3.18 |
| Cc (No. 9) | monoclinic | 2.93 | 0.0062 | -7.941 | 3.18 |
| P-1 (No. 2) | triclinic | 3.01 | 0.0067 | -7.941 | 3.13 |
| P21/c (No. 14) | monoclinic | 3.07 | 0.0082 | -7.939 | 3.17 |
| Pnma (No. 62) | orthorhombic | 2.26 | 0.0498 | -7.898 | 2.80 |
| P-6 (No. 174) | hexagonal | 1.98 | 0.0503 | -7.897 | 3.13 |
| P21/c (No. 14) | monoclinic | 2.81 | 0.0572 | -7.890 | 2.78 |
| P21/c (No. 14) | monoclinic | 2.31 | 0.0605 | -7.887 | 2.88 |
| P1 (No. 1) | triclinic | 2.17 | 0.0685 | -7.879 | 3.05 |
| Pbca (No. 61) | orthorhombic | 3.21 | 0.0770 | -7.870 | 3.50 |
| P21/c (No. 14) | monoclinic | 2.82 | 0.0945 | -7.853 | 2.86 |
| Cc (No. 9) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiMnBO3.
Applications
Where LiMnBO3 is used.
Frequently Asked Questions
Common questions about LiMnBO3, answered from cross-validated data.
What is LiMnBO3?
LiMnBO3 is a stable, wide-band-gap insulating borate compound that serves as a structural variant within the layered lithium transition-metal oxide family.
What is LiMnBO3 used for?
What is the band gap of LiMnBO3?
Is LiMnBO3 a metal, semiconductor, or insulator?
Is LiMnBO3 thermodynamically stable?
What is the crystal structure of LiMnBO3?
What is the density of LiMnBO3?
How many polymorphs of LiMnBO3 are known?
How is LiMnBO3 synthesized?
What elements does LiMnBO3 contain?
Where does the data for LiMnBO3 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of lithium-based oxides, LiMnBO3 occupies a distinct niche compared to well-known cathode materials like LiCoO2 or LiNiO2. While many of its siblings, such as LiMn2O4, are primarily studied for their high-rate electrochemical performance, LiMnBO3 offers a different structural framework that leverages the borate anion to influence its insulating electronic character and overall thermodynamic stability.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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