Na2PdF4
Na2PdF4 is a thermodynamically stable, semiconducting fluoride compound that represents a unique structural variation within the platinum-group alloy class.
About Na2PdF4
Na2PdF4 is a thermodynamically stable inorganic compound that sits within the broader family of platinum-group alloy catalysts. As a semiconducting material, it exhibits distinct electronic behavior that distinguishes it from the metallic nature typically associated with many platinum-group alloys. Its presence on the convex hull confirms its inherent stability, making it a subject of interest for researchers exploring complex fluoride systems.
This compound is characterized by its structural diversity, with multiple reported configurations across major materials databases. Its role as a fluoride-based member of the platinum-group class suggests potential utility in specialized catalytic processes where traditional metallic alloys might not be suitable or where specific electronic properties are required to drive chemical transformations.
Key Properties
Cross-validated computational properties for Na2PdF4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Na2PdF4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Na2PdF4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.45 | 0.0000 | -4.579 | 4.09 |
| P21/c (No. 14) | monoclinic | 1.32 | 0.0000 | -2.261 | — |
| — | — | 1.26 | 0.0000 | -2.356 | — |
| — | — | 0.37 | 0.0060 | -2.350 | — |
| — | — | 1.59 | 0.0228 | -2.333 | — |
| — | — | 1.76 | 0.0979 | -2.258 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 3.91 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.96 |
| P21/c (No. 14) | monoclinic | — | — | — | 3.75 |
Applications
Where Na2PdF4 is used.
Frequently Asked Questions
Common questions about Na2PdF4, answered from cross-validated data.
What is Na2PdF4?
Na2PdF4 is a thermodynamically stable, semiconducting fluoride compound that represents a unique structural variation within the platinum-group alloy class.
What is Na2PdF4 used for?
What is the band gap of Na2PdF4?
Is Na2PdF4 a metal, semiconductor, or insulator?
Is Na2PdF4 thermodynamically stable?
What is the crystal structure of Na2PdF4?
What is the density of Na2PdF4?
How many polymorphs of Na2PdF4 are known?
What elements does Na2PdF4 contain?
Where does the data for Na2PdF4 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many of the metallic or intermetallic members of the platinum-group alloy class, such as BaPd or LaRh, Na2PdF4 is a semiconducting fluoride. While siblings like GeRu and IrSe2 are often explored for their conductive or catalytic properties in metallic forms, Na2PdF4 offers a different chemical landscape by incorporating fluorine, which shifts its electronic character and structural stability compared to the more traditional transition metal alloys in this group.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Na2PdF4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →