Au4O20Se6
Au4O20Se6 is a thermodynamically stable semiconducting compound consisting of gold, oxygen, and selenium.
About Au4O20Se6
Au4O20Se6 is a complex inorganic compound composed of gold, oxygen, and selenium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
Exhibiting semiconducting electronic character, this material occupies a specialized niche in solid-state chemistry. Its unique composition of heavy metal gold with chalcogenide and oxide components makes it a subject of interest for researchers investigating complex ternary systems.
Key Properties
Cross-validated computational properties for Au4O20Se6, 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 Au4O20Se6, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 0.94 | 0.0000 | -5.340 | 5.83 |
| Cmc21 (No. 36) | — | — | — | — | — |
| — | — | — | — | — | 5.42 |
Frequently Asked Questions
Common questions about Au4O20Se6, answered from cross-validated data.
What is Au4O20Se6?
Au4O20Se6 is a thermodynamically stable semiconducting compound consisting of gold, oxygen, and selenium.
What is the band gap of Au4O20Se6?
Is Au4O20Se6 a metal, semiconductor, or insulator?
Is Au4O20Se6 thermodynamically stable?
What is the crystal structure of Au4O20Se6?
What is the density of Au4O20Se6?
How many polymorphs of Au4O20Se6 are known?
What elements does Au4O20Se6 contain?
Where does the data for Au4O20Se6 come from?
How It Compares
As a distinct ternary oxide-selenide, Au4O20Se6 serves as a notable example of the structural diversity possible within gold-based chalcogenide systems. While it lacks direct siblings in this specific dataset, its position on the convex hull distinguishes it as a highly stable reference point for future studies into the electronic behavior of gold-oxygen-selenium frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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