Br12Ga4Li4
Br12Ga4Li4 is a thermodynamically stable semiconducting compound containing lithium, gallium, and bromine.
About Br12Ga4Li4
Br12Ga4Li4 is a complex inorganic compound composed of bromine, gallium, and lithium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system.
This material exhibits semiconducting electronic characteristics, making it a subject of interest for researchers investigating electronic and optoelectronic properties. Its existence across multiple structural databases highlights its significance in solid-state chemistry.
Key Properties
Cross-validated computational properties for Br12Ga4Li4, 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 Br12Ga4Li4, 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/m (No. 11) | monoclinic | 3.00 | 0.0000 | -3.389 | 3.83 |
| — | — | — | — | — | 3.06 |
| P21/m (No. 11) | — | — | — | — | — |
| — | — | — | — | — | 3.08 |
Frequently Asked Questions
Common questions about Br12Ga4Li4, answered from cross-validated data.
What is Br12Ga4Li4?
Br12Ga4Li4 is a thermodynamically stable semiconducting compound containing lithium, gallium, and bromine.
What is the band gap of Br12Ga4Li4?
Is Br12Ga4Li4 a metal, semiconductor, or insulator?
Is Br12Ga4Li4 thermodynamically stable?
What is the crystal structure of Br12Ga4Li4?
What is the density of Br12Ga4Li4?
How many polymorphs of Br12Ga4Li4 are known?
What elements does Br12Ga4Li4 contain?
Where does the data for Br12Ga4Li4 come from?
How It Compares
As a unique ternary halide system, Br12Ga4Li4 serves as a distinct representative of lithium-gallium-bromine chemistry, providing a stable structural benchmark for exploring the interplay between alkali metals and p-block elements in semiconducting frameworks.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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