LiSnP2O7
Lithium tin pyrophosphate is a solid-state inorganic compound often studied for its ionic conductivity properties. It is primarily investigated as a potential electrolyte material for advanced battery technologies.
LiOPSn
Overview
Key Properties
Cross-validated computational properties for LiSnP2O7, 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.
0.06–1.60 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.
0.048 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
22
2 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiSnP2O7, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.60 | 0.0479 | -7.175 | 3.28 |
| P21 (No. 4) | monoclinic | 0.00 | 0.0794 | -7.143 | 3.23 |
| P21/c (No. 14) | monoclinic | 0.07 | 0.0929 | -7.130 | 3.64 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0948 | -7.128 | 3.60 |
| P-1 (No. 2) | triclinic | 0.06 | 0.0994 | -7.123 | 3.43 |
| P1 (No. 1) | triclinic | 0.00 | 0.1001 | -7.123 | 3.32 |
| Pc (No. 7) | monoclinic | 0.00 | 0.1006 | -7.122 | 3.31 |
| Cc (No. 9) | monoclinic | 0.11 | 0.1759 | -7.047 | 3.47 |
| P-1 (No. 2) | triclinic | 0.00 | 2.2799 | -4.943 | 3.43 |
| P-1 (No. 2) | triclinic | 0.00 | 5.0734 | -2.149 | 3.43 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.69 |
| P1 (No. 1) | Triclinic | — | — | — | 3.57 |
Uses
Applications
Where LiSnP2O7 is used.
Solid-state battery researchElectrochemical device development
Reference
Frequently Asked Questions
Common questions about LiSnP2O7, answered from cross-validated data.
What is LiSnP2O7?
Lithium tin pyrophosphate is a solid-state inorganic compound often studied for its ionic conductivity properties. It is primarily investigated as a potential electrolyte material for advanced battery technologies.
More questions
What is LiSnP2O7 used for?
LiSnP2O7 is used in solid-state battery research and electrochemical device development.
What is the band gap of LiSnP2O7?
LiSnP2O7 has a DFT-computed band gap of 0.06–1.60 eV across 22 reported structures.
Is LiSnP2O7 a metal, semiconductor, or insulator?
With a band gap up to 1.60 eV it is a semiconductor.
Is LiSnP2O7 thermodynamically stable?
LiSnP2O7 has a lowest energy above hull of 0.048 eV/atom (metastable).
What is the crystal structure of LiSnP2O7?
The lowest-energy reported polymorph of LiSnP2O7 is triclinic symmetry, space group P-1 (No. 2).
What is the density of LiSnP2O7?
The computed density of the ground-state structure of LiSnP2O7 is 3.28 g/cm³.
How many polymorphs of LiSnP2O7 are known?
22 structures of LiSnP2O7 are reported across 2 databases, spanning 6 distinct space groups.
What elements does LiSnP2O7 contain?
LiSnP2O7 contains Li, O, P, and Sn (4 elements).
Where does the data for LiSnP2O7 come from?
LiSnP2O7 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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