Li3BrO
lithium bromide oxide · lithium oxybromide
Lithium bromide oxide is an inorganic solid electrolyte material known for its high ionic conductivity. It is primarily researched for its potential to improve the performance and safety of solid-state lithium-ion batteries.
Key Properties
Cross-validated computational properties for lithium bromide oxide, 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 Li3BrO, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 4.28 | 0.0371 | -4.397 | 3.15 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.02 |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.10 |
| Pm-3m (No. 221) | Cubic | — | — | — | 3.15 |
Applications
Where lithium bromide oxide is used.
Frequently Asked Questions
Common questions about lithium bromide oxide, answered from cross-validated data.
What is Li3BrO?
Lithium bromide oxide is an inorganic solid electrolyte material known for its high ionic conductivity. It is primarily researched for its potential to improve the performance and safety of solid-state lithium-ion batteries.
What is Li3BrO used for?
What is the band gap of Li3BrO?
Is Li3BrO a metal, semiconductor, or insulator?
Is Li3BrO thermodynamically stable?
What is the crystal structure of Li3BrO?
What is the density of Li3BrO?
How many polymorphs of Li3BrO are known?
What elements does Li3BrO contain?
Where does the data for Li3BrO come from?
Related Compounds
Other Antiperovskite Lithium Conductors 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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