Ba4Ga2Gd2Se10
Ba4Ga2Gd2Se10 is a thermodynamically stable semiconducting quaternary selenide compound.
About Ba4Ga2Gd2Se10
Ba4Ga2Gd2Se10 is a complex quaternary selenide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of barium, gallium, gadolinium, and selenium atoms.
This material is of significant interest in solid-state chemistry due to its unique composition and stability. Its electronic properties suggest potential utility in specialized optoelectronic or sensing applications where stable, semiconducting chalcogenide frameworks are required.
Key Properties
Cross-validated computational properties for Ba4Ga2Gd2Se10, 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 Ba4Ga2Gd2Se10, 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 | 1.36 | 0.0000 | -6.183 | 5.43 |
| — | — | — | — | — | 5.39 |
| No. 0 | unknown | — | — | — | 2.84 |
Applications
Where Ba4Ga2Gd2Se10 is used.
Frequently Asked Questions
Common questions about Ba4Ga2Gd2Se10, answered from cross-validated data.
What is Ba4Ga2Gd2Se10?
Ba4Ga2Gd2Se10 is a thermodynamically stable semiconducting quaternary selenide compound.
What is Ba4Ga2Gd2Se10 used for?
What is the band gap of Ba4Ga2Gd2Se10?
Is Ba4Ga2Gd2Se10 a metal, semiconductor, or insulator?
Is Ba4Ga2Gd2Se10 thermodynamically stable?
What is the crystal structure of Ba4Ga2Gd2Se10?
What is the density of Ba4Ga2Gd2Se10?
How many polymorphs of Ba4Ga2Gd2Se10 are known?
What elements does Ba4Ga2Gd2Se10 contain?
Where does the data for Ba4Ga2Gd2Se10 come from?
How It Compares
As a quaternary selenide, Ba4Ga2Gd2Se10 occupies a distinct niche in materials science, serving as a stable representative of complex chalcogenide systems that balance multiple metallic and rare-earth components within a single lattice.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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