Br2In2S8Sb4
This compound is a complex quaternary chalcogenide containing indium, antimony, sulfur, and bromine. It belongs to a class of materials studied for their unique structural properties and potential utility in advanced electronic or optical technologies.
BrInSSb
Overview
Key Properties
Cross-validated computational properties for Br2In2S8Sb4, 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.
1.53 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Br2In2S8Sb4, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.53 | 0.0000 | -4.385 | 4.55 |
| No. 0 | unknown | — | — | — | 1.18 |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where Br2In2S8Sb4 is used.
Materials science researchSemiconductor developmentSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Br2In2S8Sb4, answered from cross-validated data.
What is Br2In2S8Sb4?
This compound is a complex quaternary chalcogenide containing indium, antimony, sulfur, and bromine. It belongs to a class of materials studied for their unique structural properties and potential utility in advanced electronic or optical technologies.
What is Br2In2S8Sb4 used for?
Br2In2S8Sb4 is used in materials science research, semiconductor development, and solid-state chemistry studies.
What is the band gap of Br2In2S8Sb4?
Br2In2S8Sb4 has a DFT-computed band gap of 1.53 eV across 3 reported structures.
Is Br2In2S8Sb4 a metal, semiconductor, or insulator?
With a band gap up to 1.53 eV it is a semiconductor.
Is Br2In2S8Sb4 thermodynamically stable?
Yes — Br2In2S8Sb4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Br2In2S8Sb4?
The lowest-energy reported polymorph of Br2In2S8Sb4 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Br2In2S8Sb4?
The computed density of the ground-state structure of Br2In2S8Sb4 is 4.55 g/cm³.
How many polymorphs of Br2In2S8Sb4 are known?
3 structures of Br2In2S8Sb4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Br2In2S8Sb4 contain?
Br2In2S8Sb4 contains Br, In, S, and Sb (4 elements).
Where does the data for Br2In2S8Sb4 come from?
Br2In2S8Sb4 data is cross-referenced from materials_project, cod, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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