B1Br2Li1
This compound is a lithium-based boron bromide material primarily studied for its potential role in solid-state electrolyte research. It is investigated for its ability to facilitate ion transport in advanced energy storage systems.
BBrLi
Overview
Key Properties
Cross-validated computational properties for B1Br2Li1, 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.
0.60 eV
Range across DFT structures
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.
1.679 eV/atom
Best (lowest) across sources
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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
26
2 databases, 14 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for B1Br2Li1, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.60 | 1.6792 | -2.513 | 3.17 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Uses
Applications
Where B1Br2Li1 is used.
Solid-state battery researchIonic conductor developmentMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about B1Br2Li1, answered from cross-validated data.
What is B1Br2Li1?
This compound is a lithium-based boron bromide material primarily studied for its potential role in solid-state electrolyte research. It is investigated for its ability to facilitate ion transport in advanced energy storage systems.
More questions
What is B1Br2Li1 used for?
B1Br2Li1 is used in solid-state battery research, ionic conductor development, and materials science experimentation.
What is the band gap of B1Br2Li1?
B1Br2Li1 has a DFT-computed band gap of 0.60 eV across 26 reported structures.
Is B1Br2Li1 a metal, semiconductor, or insulator?
With a band gap up to 0.60 eV it is a semiconductor.
Is B1Br2Li1 thermodynamically stable?
B1Br2Li1 has a lowest energy above hull of 1.679 eV/atom (above hull).
What is the crystal structure of B1Br2Li1?
The lowest-energy reported polymorph of B1Br2Li1 is cubic symmetry, space group F-43m (No. 216).
What is the density of B1Br2Li1?
The computed density of the ground-state structure of B1Br2Li1 is 3.17 g/cm³.
How many polymorphs of B1Br2Li1 are known?
26 structures of B1Br2Li1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does B1Br2Li1 contain?
B1Br2Li1 contains B, Br, and Li (3 elements).
Where does the data for B1Br2Li1 come from?
B1Br2Li1 data is cross-referenced from materials_project, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze B1Br2Li1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →