Na4O14P4Pd2
This compound is a complex inorganic phosphate containing sodium and palladium. It is primarily utilized in specialized chemical research and materials science investigations involving transition metal phosphates.
NaOPPd
Overview
Key Properties
Cross-validated computational properties for Na4O14P4Pd2, 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.
1.60 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Na4O14P4Pd2, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.60 | 0.0000 | -6.782 | 3.31 |
| — | — | — | — | — | 3.32 |
| — | — | — | — | — | 3.32 |
| C2/c (No. 15) | — | — | — | — | — |
Uses
Applications
Where Na4O14P4Pd2 is used.
Materials science researchCatalysis studiesSolid-state chemistry
Reference
Frequently Asked Questions
Common questions about Na4O14P4Pd2, answered from cross-validated data.
What is Na4O14P4Pd2?
This compound is a complex inorganic phosphate containing sodium and palladium. It is primarily utilized in specialized chemical research and materials science investigations involving transition metal phosphates.
More questions
What is Na4O14P4Pd2 used for?
Na4O14P4Pd2 is used in materials science research, catalysis studies, and solid-state chemistry.
What is the band gap of Na4O14P4Pd2?
Na4O14P4Pd2 has a DFT-computed band gap of 1.60 eV across 4 reported structures.
Is Na4O14P4Pd2 a metal, semiconductor, or insulator?
With a band gap up to 1.60 eV it is a semiconductor.
Is Na4O14P4Pd2 thermodynamically stable?
Yes — Na4O14P4Pd2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na4O14P4Pd2?
The lowest-energy reported polymorph of Na4O14P4Pd2 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Na4O14P4Pd2?
The computed density of the ground-state structure of Na4O14P4Pd2 is 3.31 g/cm³.
How many polymorphs of Na4O14P4Pd2 are known?
4 structures of Na4O14P4Pd2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Na4O14P4Pd2 contain?
Na4O14P4Pd2 contains Na, O, P, and Pd (4 elements).
Where does the data for Na4O14P4Pd2 come from?
Na4O14P4Pd2 data is cross-referenced from materials_project, omat24, aflow.
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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