Na2CoP2O7
Sodium cobalt pyrophosphate
This compound is a phosphate-based material often investigated for its electrochemical properties. It is primarily studied as a potential cathode material for advanced battery technologies due to its stable structural framework.
Key Properties
Cross-validated computational properties for Na2CoP2O7, aggregated across 2 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 Na2CoP2O7, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 3.32 | 0.0031 | -7.073 | 2.91 |
| P21/c (No. 14) | monoclinic | 2.52 | 0.0060 | -7.071 | 2.89 |
| P-421m (No. 113) | tetragonal | 3.09 | 0.0090 | -7.068 | 2.90 |
| P42/mnm (No. 136) | tetragonal | 3.06 | 0.0098 | -7.067 | 2.90 |
| P-1 (No. 2) | triclinic | 3.13 | 0.0250 | -7.051 | 3.17 |
| C2/c (No. 15) | monoclinic | 2.37 | 0.0271 | -7.049 | 2.84 |
| P1 (No. 1) | triclinic | 3.01 | 0.0297 | -7.047 | 3.09 |
| Pnma (No. 62) | orthorhombic | 1.68 | 0.0405 | -7.036 | 2.83 |
| Imma (No. 74) | orthorhombic | 1.24 | 0.0565 | -7.020 | 2.51 |
| P-1 (No. 2) | triclinic | 0.00 | 2.1994 | -4.877 | 3.18 |
| P1 (No. 1) | triclinic | 0.00 | 2.4590 | -4.618 | 3.09 |
| P-421m (No. 113) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Na2CoP2O7.
Applications
Where Na2CoP2O7 is used.
Frequently Asked Questions
Common questions about Na2CoP2O7, answered from cross-validated data.
What is Na2CoP2O7?
This compound is a phosphate-based material often investigated for its electrochemical properties. It is primarily studied as a potential cathode material for advanced battery technologies due to its stable structural framework.
What is Na2CoP2O7 used for?
What is the band gap of Na2CoP2O7?
Is Na2CoP2O7 a metal, semiconductor, or insulator?
Is Na2CoP2O7 thermodynamically stable?
What is the crystal structure of Na2CoP2O7?
What is the density of Na2CoP2O7?
How many polymorphs of Na2CoP2O7 are known?
How is Na2CoP2O7 synthesized?
What elements does Na2CoP2O7 contain?
Where does the data for Na2CoP2O7 come from?
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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