GeRbSe4Sm
GeRbSe4Sm is a thermodynamically stable semiconducting quaternary compound used in materials science research for its unique structural and electronic properties.
About GeRbSe4Sm
GeRbSe4Sm is a complex quaternary chalcogenide that functions as a semiconductor. Its position on the thermodynamic convex hull indicates high stability, making it a robust candidate for structural and electronic investigations within the broader family of perovskite-inspired materials. The compound's unique elemental combination of germanium, rubidium, selenium, and samarium allows for tailored electronic properties. It is primarily utilized in solid-state research to explore how heavy rare-earth elements and chalcogenide frameworks influence light-matter interactions and carrier transport.
Key Properties
Cross-validated computational properties for GeRbSe4Sm, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of GeRbSe4Sm. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for GeRbSe4Sm, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 1.60 | 0.0000 | -4.885 | 4.69 |
| P1 (No. 1) | triclinic | 1.75 | 0.0083 | -4.877 | 4.69 |
| No. 0 | unknown | — | — | — | 1.24 |
| P212121 (No. 19) | — | — | — | — | — |
Applications
Where GeRbSe4Sm is used.
Frequently Asked Questions
Common questions about GeRbSe4Sm, answered from cross-validated data.
What is GeRbSe4Sm?
GeRbSe4Sm is a thermodynamically stable semiconducting quaternary compound used in materials science research for its unique structural and electronic properties.
What is GeRbSe4Sm used for?
What is the band gap of GeRbSe4Sm?
Is GeRbSe4Sm a metal, semiconductor, or insulator?
Is GeRbSe4Sm thermodynamically stable?
What is the crystal structure of GeRbSe4Sm?
What is the density of GeRbSe4Sm?
How many polymorphs of GeRbSe4Sm are known?
What elements does GeRbSe4Sm contain?
Where does the data for GeRbSe4Sm come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the well-known halide perovskites such as CsPbBr3 or CsSnI3, which are frequently studied for their high-efficiency optoelectronic performance, GeRbSe4Sm represents a more specialized, complex structural variant. While siblings like RbPbF3 focus on fluoride-based perovskite architectures, GeRbSe4Sm utilizes a chalcogenide-based lattice that offers distinct stability and electronic characteristics compared to the more conventional lead-halide systems.
Related Compounds
Other Halide Perovskite Photovoltaics in the database.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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