Na3UF7
Na3UF7 is a metastable, semimetallic fluoride compound containing sodium and uranium.
About Na3UF7
Na3UF7 is a complex fluoride compound containing sodium and uranium. As a metastable material, it represents a specialized chemical configuration that offers unique insights into the behavior of uranium-based fluorides under varying structural arrangements.
Its electronic character is defined as near-zero-gap, placing it in the category of semimetallic materials. This electronic profile makes it a subject of interest for researchers investigating the fundamental physics of actinide-bearing inorganic compounds.
Key Properties
Cross-validated computational properties for Na3UF7, 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 Na3UF7, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.06 | 0.0272 | -13.709 | 4.27 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.27 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.41 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.40 |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Na3UF7 is used.
Frequently Asked Questions
Common questions about Na3UF7, answered from cross-validated data.
What is Na3UF7?
Na3UF7 is a metastable, semimetallic fluoride compound containing sodium and uranium.
What is Na3UF7 used for?
What is the band gap of Na3UF7?
Is Na3UF7 a metal, semiconductor, or insulator?
Is Na3UF7 thermodynamically stable?
What is the crystal structure of Na3UF7?
What is the density of Na3UF7?
How many polymorphs of Na3UF7 are known?
What elements does Na3UF7 contain?
Where does the data for Na3UF7 come from?
How It Compares
As a unique uranium-based fluoride, Na3UF7 serves as a distinct entry point for studying metastable phases within the broader landscape of complex halide materials. Its semimetallic nature distinguishes it from many typical insulating fluoride salts, providing a rare case study for electronic structure modeling in actinide chemistry.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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