Au2F8Na2
Au2F8Na2 is a thermodynamically stable semiconducting fluoride compound.
About Au2F8Na2
Au2F8Na2 is a complex fluoride compound that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined as semiconducting, marking it as a material of interest for specialized solid-state applications where specific electronic properties are required.
Given its structural diversity across multiple databases, this compound represents a notable entry in the field of inorganic fluorides. Its stability suggests potential for synthesis and further characterization in experimental research environments.
Key Properties
Cross-validated computational properties for Au2F8Na2, 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 Au2F8Na2, 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. |
|---|---|---|---|---|---|
| I4/mcm (No. 140) | tetragonal | 2.13 | 0.0000 | -12.992 | 6.06 |
| — | — | — | — | — | 5.09 |
| I4/mcm (No. 140) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Au2F8Na2, answered from cross-validated data.
What is Au2F8Na2?
Au2F8Na2 is a thermodynamically stable semiconducting fluoride compound.
What is the band gap of Au2F8Na2?
Is Au2F8Na2 a metal, semiconductor, or insulator?
Is Au2F8Na2 thermodynamically stable?
What is the crystal structure of Au2F8Na2?
What is the density of Au2F8Na2?
How many polymorphs of Au2F8Na2 are known?
What elements does Au2F8Na2 contain?
Where does the data for Au2F8Na2 come from?
How It Compares
As a distinct inorganic fluoride, Au2F8Na2 occupies a unique position within the broader landscape of complex metal fluorides. While it lacks direct structural siblings in this specific classification, its presence on the convex hull distinguishes it as a robust material compared to metastable phases often encountered in similar chemical systems.
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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