Br2KLi
Br2KLi is a semiconducting ternary bromide compound characterized by a high degree of structural diversity.
About Br2KLi
Br2KLi is a ternary bromide compound that exhibits semiconducting electronic properties. Its structural landscape is defined by a diverse array of reported configurations, reflecting a complex arrangement of lithium, potassium, and bromine ions within its lattice framework.
As a material with multiple documented structural variations, it remains a subject of interest for researchers investigating halide-based systems. Understanding its atomic configuration is essential for exploring its potential utility in specialized solid-state applications.
Key Properties
Cross-validated computational properties for Br2KLi, 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 Br2KLi, 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) | — | 1.70 | — | — | — |
| — | — | — | — | — | 2.70 |
| I-42d (No. 122) | — | — | — | — | — |
| — | — | — | — | — | 2.33 |
| — | — | — | — | — | — |
| — | — | — | — | — | 2.40 |
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Applications
Where Br2KLi is used.
Frequently Asked Questions
Common questions about Br2KLi, answered from cross-validated data.
What is Br2KLi?
Br2KLi is a semiconducting ternary bromide compound characterized by a high degree of structural diversity.
What is Br2KLi used for?
What is the band gap of Br2KLi?
Is Br2KLi a metal, semiconductor, or insulator?
What is the crystal structure of Br2KLi?
How many polymorphs of Br2KLi are known?
What elements does Br2KLi contain?
Where does the data for Br2KLi come from?
How It Compares
As a unique ternary bromide, Br2KLi occupies a distinct position within the broader landscape of alkali metal halides, serving as an interesting case study for how the combination of different alkali cations influences the resulting semiconducting behavior and structural diversity.
Data sources & attribution
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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