Au2F8Li2
Au2F8Li2 is a thermodynamically stable semiconducting compound composed of gold, lithium, and fluorine.
About Au2F8Li2
Au2F8Li2 is a complex fluoride compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of gold, lithium, and fluorine atoms that maintains structural integrity under standard conditions. The existence of multiple reported structures across various databases highlights its significance in fundamental solid-state research. Its unique composition makes it a subject of interest for those investigating the intersection of noble metal chemistry and halide materials. By balancing the reactive nature of fluorine with the stability of gold and lithium, this compound offers a distinct chemical environment for exploring electronic behavior in inorganic systems.
Key Properties
Cross-validated computational properties for Au2F8Li2, 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 Au2F8Li2, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 2.08 | 0.0000 | -4.159 | 5.53 |
| C2/c (No. 15) | monoclinic | 2.07 | 0.0035 | -4.155 | 6.14 |
| — | — | — | — | — | 4.77 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Au2F8Li2 is used.
Frequently Asked Questions
Common questions about Au2F8Li2, answered from cross-validated data.
What is Au2F8Li2?
Au2F8Li2 is a thermodynamically stable semiconducting compound composed of gold, lithium, and fluorine.
What is Au2F8Li2 used for?
What is the band gap of Au2F8Li2?
Is Au2F8Li2 a metal, semiconductor, or insulator?
Is Au2F8Li2 thermodynamically stable?
What is the crystal structure of Au2F8Li2?
What is the density of Au2F8Li2?
How many polymorphs of Au2F8Li2 are known?
What elements does Au2F8Li2 contain?
Where does the data for Au2F8Li2 come from?
How It Compares
As a unique inorganic fluoride, Au2F8Li2 serves as a specialized example of ternary gold-lithium-fluorine chemistry. Without direct structural analogs in its immediate class, it stands as a distinct entry point for studying how gold participates in complex ionic lattices, providing a baseline for future exploration of similar high-stability semiconducting fluorides.
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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