Br4I4Li8
Br4I4Li8 is an insulating lithium halide compound that is theoretically stable enough to be a target for laboratory synthesis.
About Br4I4Li8
Br4I4Li8 is a complex lithium halide compound characterized by its wide-gap insulating electronic structure. As an inorganic material composed of lithium, bromine, and iodine, it represents a unique structural arrangement within the halide family.
This compound is considered near-hull in terms of thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. Its insulating nature and specific ionic composition make it an interesting subject for fundamental studies in solid-state chemistry.
Key Properties
Cross-validated computational properties for Br4I4Li8, 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 Br4I4Li8, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 4.13 | 0.0110 | -3.363 | 3.21 |
| — | — | — | — | — | 3.43 |
| — | — | — | — | — | 2.74 |
| P1 (No. 1) | triclinic | — | — | — | 3.40 |
Applications
Where Br4I4Li8 is used.
Frequently Asked Questions
Common questions about Br4I4Li8, answered from cross-validated data.
What is Br4I4Li8?
Br4I4Li8 is an insulating lithium halide compound that is theoretically stable enough to be a target for laboratory synthesis.
What is Br4I4Li8 used for?
What is the band gap of Br4I4Li8?
Is Br4I4Li8 a metal, semiconductor, or insulator?
Is Br4I4Li8 thermodynamically stable?
What is the crystal structure of Br4I4Li8?
What is the density of Br4I4Li8?
How many polymorphs of Br4I4Li8 are known?
What elements does Br4I4Li8 contain?
Where does the data for Br4I4Li8 come from?
How It Compares
As a specialized lithium halide, Br4I4Li8 occupies a distinct niche in materials science. While many lithium halides are well-characterized simple salts, this compound represents a more complex stoichiometry that warrants further investigation into its structural properties and potential for ion transport applications.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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