Br8Ge8S12
Br8Ge8S12 is a thermodynamically stable, semiconducting inorganic compound containing bromine, germanium, and sulfur.
About Br8Ge8S12
Br8Ge8S12 is a complex inorganic compound composed of bromine, germanium, and sulfur. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these elements that maintains structural integrity under standard conditions. Its electronic character as a semiconductor makes it an intriguing candidate for specialized electronic and optoelectronic research where precise band engineering is required. The material is characterized by a well-defined structural framework, supported by multiple entries across crystallographic databases, reflecting its significance in fundamental solid-state chemistry. Its unique composition allows for potential applications in areas requiring stable, semiconducting inorganic frameworks.
Key Properties
Cross-validated computational properties for Br8Ge8S12, 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 Br8Ge8S12, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.45 | 0.0000 | -4.373 | 3.08 |
| — | — | — | — | — | 2.61 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 2.61 |
Applications
Where Br8Ge8S12 is used.
Frequently Asked Questions
Common questions about Br8Ge8S12, answered from cross-validated data.
What is Br8Ge8S12?
Br8Ge8S12 is a thermodynamically stable, semiconducting inorganic compound containing bromine, germanium, and sulfur.
What is Br8Ge8S12 used for?
What is the band gap of Br8Ge8S12?
Is Br8Ge8S12 a metal, semiconductor, or insulator?
Is Br8Ge8S12 thermodynamically stable?
What is the crystal structure of Br8Ge8S12?
What is the density of Br8Ge8S12?
How many polymorphs of Br8Ge8S12 are known?
What elements does Br8Ge8S12 contain?
Where does the data for Br8Ge8S12 come from?
How It Compares
As a distinct inorganic compound, Br8Ge8S12 occupies a unique position within its chemical space. Unlike more common binary or ternary semiconductors, this complex arrangement of bromine, germanium, and sulfur offers a specific structural geometry that distinguishes it from simpler chalcogenide systems, providing a stable platform for exploring advanced material properties.
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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