Li3BO3
Lithium orthoborate · Lithium borate
Lithium orthoborate is an inorganic compound that serves as a key material in the study of solid-state electrolytes. It is primarily investigated for its role in enhancing the performance and stability of lithium-based energy storage systems.
Key Properties
Cross-validated computational properties for Lithium orthoborate, 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 Li3BO3, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 5.15 | 0.0000 | -6.448 | 2.22 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.09 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.17 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.14 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Li3BO3.
Applications
Where Lithium orthoborate is used.
Frequently Asked Questions
Common questions about Lithium orthoborate, answered from cross-validated data.
What is Li3BO3?
Lithium orthoborate is an inorganic compound that serves as a key material in the study of solid-state electrolytes. It is primarily investigated for its role in enhancing the performance and stability of lithium-based energy storage systems.
What is Li3BO3 used for?
What is the band gap of Li3BO3?
Is Li3BO3 a metal, semiconductor, or insulator?
Is Li3BO3 thermodynamically stable?
What is the crystal structure of Li3BO3?
What is the density of Li3BO3?
How many polymorphs of Li3BO3 are known?
How is Li3BO3 synthesized?
What elements does Li3BO3 contain?
Where does the data for Li3BO3 come from?
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
Analyze Li3BO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →