Ba4Ge4O2S12Zn2
Ba4Ge4O2S12Zn2 is a thermodynamically stable, semiconducting quaternary compound containing barium, germanium, oxygen, sulfur, and zinc.
About Ba4Ge4O2S12Zn2
Ba4Ge4O2S12Zn2 is a complex quaternary compound composed of barium, germanium, oxygen, sulfur, and zinc. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that is well-defined within current materials databases.
This compound exhibits semiconducting electronic character, making it a subject of interest for specialized optoelectronic or solid-state applications. Its unique chemical composition allows for diverse structural configurations, as evidenced by multiple reported entries in structural databases.
Key Properties
Cross-validated computational properties for Ba4Ge4O2S12Zn2, 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 Ba4Ge4O2S12Zn2, 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-421m (No. 113) | tetragonal | 2.11 | 0.0000 | -5.254 | 3.72 |
| — | — | — | — | — | 3.72 |
| — | — | — | — | — | 3.72 |
| P-421m (No. 113) | — | — | — | — | — |
| — | — | — | — | — | 3.72 |
Applications
Where Ba4Ge4O2S12Zn2 is used.
Frequently Asked Questions
Common questions about Ba4Ge4O2S12Zn2, answered from cross-validated data.
What is Ba4Ge4O2S12Zn2?
Ba4Ge4O2S12Zn2 is a thermodynamically stable, semiconducting quaternary compound containing barium, germanium, oxygen, sulfur, and zinc.
What is Ba4Ge4O2S12Zn2 used for?
What is the band gap of Ba4Ge4O2S12Zn2?
Is Ba4Ge4O2S12Zn2 a metal, semiconductor, or insulator?
Is Ba4Ge4O2S12Zn2 thermodynamically stable?
What is the crystal structure of Ba4Ge4O2S12Zn2?
What is the density of Ba4Ge4O2S12Zn2?
How many polymorphs of Ba4Ge4O2S12Zn2 are known?
What elements does Ba4Ge4O2S12Zn2 contain?
Where does the data for Ba4Ge4O2S12Zn2 come from?
How It Compares
As a distinct quaternary sulfide oxide, Ba4Ge4O2S12Zn2 occupies a unique niche in solid-state chemistry. Unlike simpler binary or ternary chalcogenides, this material leverages the interplay between oxygen and sulfur coordination to maintain its thermodynamic stability while providing a semiconducting framework for potential electronic utility.
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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