Br9Cs5Nb2S4
This complex inorganic compound is a member of the halide-chalcogenide family, characterized by its specific arrangement of cesium, niobium, bromine, and sulfur atoms. It is primarily utilized in solid-state chemistry research to investigate the structural and electronic properties of low-dimensional materials.
Key Properties
Cross-validated computational properties for Br9Cs5Nb2S4, 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 Br9Cs5Nb2S4, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 1.77 | 0.0000 | -4.470 | 3.83 |
| — | — | — | — | — | 3.26 |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Br9Cs5Nb2S4 is used.
Frequently Asked Questions
Common questions about Br9Cs5Nb2S4, answered from cross-validated data.
What is Br9Cs5Nb2S4?
This complex inorganic compound is a member of the halide-chalcogenide family, characterized by its specific arrangement of cesium, niobium, bromine, and sulfur atoms. It is primarily utilized in solid-state chemistry research to investigate the structural and electronic properties of low-dimensional materials.
What is Br9Cs5Nb2S4 used for?
What is the band gap of Br9Cs5Nb2S4?
Is Br9Cs5Nb2S4 a metal, semiconductor, or insulator?
Is Br9Cs5Nb2S4 thermodynamically stable?
What is the crystal structure of Br9Cs5Nb2S4?
What is the density of Br9Cs5Nb2S4?
How many polymorphs of Br9Cs5Nb2S4 are known?
What elements does Br9Cs5Nb2S4 contain?
Where does the data for Br9Cs5Nb2S4 come from?
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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