Au2Cs6Ge8
Au2Cs6Ge8 is a stable, semiconducting ternary intermetallic compound containing gold, cesium, and germanium.
About Au2Cs6Ge8
Au2Cs6Ge8 is a thermodynamically stable semiconducting compound composed of gold, cesium, and germanium. Its position on the convex hull indicates a robust structural integrity that makes it a subject of interest for fundamental solid-state research. The material exhibits a distinct electronic character that differentiates it from traditional ionic perovskites, providing a unique platform for studying complex ternary intermetallic systems. Its structural stability across multiple reported configurations highlights its potential as a reliable model system for advanced material characterization. This compound is primarily utilized in academic and laboratory settings to explore the interplay between heavy metal elements and alkali metals in semiconducting frameworks.
Key Properties
Cross-validated computational properties for Au2Cs6Ge8, 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 Au2Cs6Ge8, 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. |
|---|---|---|---|---|---|
| Pmmn (No. 59) | orthorhombic | 0.93 | 0.0000 | -3.330 | 5.00 |
| — | — | — | — | — | 3.46 |
| Pmmn (No. 59) | — | — | — | — | — |
Applications
Where Au2Cs6Ge8 is used.
Frequently Asked Questions
Common questions about Au2Cs6Ge8, answered from cross-validated data.
What is Au2Cs6Ge8?
Au2Cs6Ge8 is a stable, semiconducting ternary intermetallic compound containing gold, cesium, and germanium.
What is Au2Cs6Ge8 used for?
What is the band gap of Au2Cs6Ge8?
Is Au2Cs6Ge8 a metal, semiconductor, or insulator?
Is Au2Cs6Ge8 thermodynamically stable?
What is the crystal structure of Au2Cs6Ge8?
What is the density of Au2Cs6Ge8?
How many polymorphs of Au2Cs6Ge8 are known?
What elements does Au2Cs6Ge8 contain?
Where does the data for Au2Cs6Ge8 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the widely studied halide perovskites such as CsPbBr3 or CsSnI3, which are characterized by their specific halide-based octahedral networks, Au2Cs6Ge8 represents a more complex intermetallic architecture. While siblings like CsPbBr3 are heavily optimized for optoelectronic performance, Au2Cs6Ge8 serves as a structural curiosity that challenges conventional perovskite design rules by incorporating gold and germanium into its lattice, offering a distinct electronic profile compared to the more common tin or lead-based halide variants.
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).
- 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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