Ag2BaGeS4
Ag2BaGeS4 is a stable, semiconducting quaternary sulfide compound used in materials science research.
About Ag2BaGeS4
Ag2BaGeS4 is a quaternary sulfide compound composed of silver, barium, germanium, and sulfur. As a thermodynamically stable material located on the convex hull, it represents a robust structural arrangement within its chemical system.
This compound exhibits semiconducting electronic character, making it a subject of interest for fundamental materials research. Its specific atomic configuration allows for distinct electronic properties that are valuable in the study of complex chalcogenide semiconductors.
Key Properties
Cross-validated computational properties for Ag2BaGeS4, 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 Ag2BaGeS4, 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. |
|---|---|---|---|---|---|
| I-42m (No. 121) | tetragonal | 0.60 | 0.0000 | -4.615 | 4.71 |
| — | — | — | — | — | — |
| — | — | — | — | — | 4.68 |
Applications
Where Ag2BaGeS4 is used.
Frequently Asked Questions
Common questions about Ag2BaGeS4, answered from cross-validated data.
What is Ag2BaGeS4?
Ag2BaGeS4 is a stable, semiconducting quaternary sulfide compound used in materials science research.
What is Ag2BaGeS4 used for?
What is the band gap of Ag2BaGeS4?
Is Ag2BaGeS4 a metal, semiconductor, or insulator?
Is Ag2BaGeS4 thermodynamically stable?
What is the crystal structure of Ag2BaGeS4?
What is the density of Ag2BaGeS4?
How many polymorphs of Ag2BaGeS4 are known?
What elements does Ag2BaGeS4 contain?
Where does the data for Ag2BaGeS4 come from?
How It Compares
As a quaternary sulfide, Ag2BaGeS4 occupies a specialized niche in materials science, providing a stable platform for investigating the interplay between its constituent elements in a semiconducting framework.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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