NaO7P2Y
Sodium yttrium pyrophosphate · NaYP2O7
Sodium yttrium pyrophosphate is a crystalline inorganic compound belonging to the phosphate family. It is primarily utilized in materials science research as a host lattice for luminescent materials and phosphors.
NaOPY
Overview
Key Properties
Cross-validated computational properties for Sodium yttrium pyrophosphate, 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.
5.28 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.
0.006 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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NaO7P2Y. 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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
1
materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for NaO7P2Y, 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 (No. 4) | monoclinic | 5.28 | 0.0061 | -7.940 | 2.95 |
| — | — | — | — | — | 3.37 |
| No. 0 | unknown | — | — | — | 1.55 |
Uses
Applications
Where Sodium yttrium pyrophosphate is used.
Phosphor host materialsLuminescence researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Sodium yttrium pyrophosphate, answered from cross-validated data.
What is NaO7P2Y?
Sodium yttrium pyrophosphate is a crystalline inorganic compound belonging to the phosphate family. It is primarily utilized in materials science research as a host lattice for luminescent materials and phosphors.
What is NaO7P2Y used for?
Sodium yttrium pyrophosphate (NaO7P2Y) is used in phosphor host materials, luminescence research, and solid-state chemistry studies.
What is the band gap of NaO7P2Y?
Sodium yttrium pyrophosphate (NaO7P2Y) has a DFT-computed band gap of 5.28 eV across 3 reported structures.
Is NaO7P2Y a metal, semiconductor, or insulator?
With a wide band gap up to 5.28 eV it is an insulator / wide-band-gap material.
Is NaO7P2Y thermodynamically stable?
Sodium yttrium pyrophosphate (NaO7P2Y) has a lowest energy above hull of 0.006 eV/atom (near hull (likely stable)).
What is the crystal structure of NaO7P2Y?
The lowest-energy reported polymorph of Sodium yttrium pyrophosphate (NaO7P2Y) is monoclinic symmetry, space group P21 (No. 4).
What is the density of NaO7P2Y?
The computed density of the ground-state structure of Sodium yttrium pyrophosphate (NaO7P2Y) is 2.95 g/cm³.
How many polymorphs of NaO7P2Y are known?
3 structures of NaO7P2Y are reported across 3 databases, spanning 2 distinct space groups.
What elements does NaO7P2Y contain?
Sodium yttrium pyrophosphate (NaO7P2Y) contains Na, O, P, and Y (4 elements).
Where does the data for NaO7P2Y come from?
NaO7P2Y data is cross-referenced from materials_project, omat24, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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