Al4Br12N4S4
Al4Br12N4S4 is a metastable, semiconducting inorganic compound used primarily in fundamental materials science research.
About Al4Br12N4S4
Al4Br12N4S4 is a complex inorganic compound characterized by its semiconducting electronic behavior. As a metastable material, it represents a specialized structural arrangement that offers unique pathways for chemical synthesis and material design within its specific atomic configuration.
Its significance lies in its intricate composition, which provides a platform for investigating electronic transport properties in non-equilibrium states. Researchers study this compound to understand how complex bonding environments influence the stability and functional potential of synthetic inorganic frameworks.
Key Properties
Cross-validated computational properties for Al4Br12N4S4, 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 Al4Br12N4S4, 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/c (No. 14) | monoclinic | 1.87 | 0.0690 | -4.465 | 2.68 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 2.06 |
| — | — | — | — | — | 2.60 |
Applications
Where Al4Br12N4S4 is used.
Frequently Asked Questions
Common questions about Al4Br12N4S4, answered from cross-validated data.
What is Al4Br12N4S4?
Al4Br12N4S4 is a metastable, semiconducting inorganic compound used primarily in fundamental materials science research.
What is Al4Br12N4S4 used for?
What is the band gap of Al4Br12N4S4?
Is Al4Br12N4S4 a metal, semiconductor, or insulator?
Is Al4Br12N4S4 thermodynamically stable?
What is the crystal structure of Al4Br12N4S4?
What is the density of Al4Br12N4S4?
How many polymorphs of Al4Br12N4S4 are known?
What elements does Al4Br12N4S4 contain?
Where does the data for Al4Br12N4S4 come from?
How It Compares
As a unique inorganic structure, Al4Br12N4S4 serves as a distinct subject of study within the broader landscape of complex aluminum-based halides and chalcogenides. It occupies a specialized niche, offering a structural profile that differs from more common, highly stable crystalline phases, thereby providing valuable data for predictive materials modeling.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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