Li2SnP2O7
Li2SnP2O7 is a wide-gap insulating phosphate compound that exhibits high thermodynamic stability and structural versatility.
About Li2SnP2O7
Li2SnP2O7 is a complex phosphate material characterized by its wide-gap insulating electronic structure. As a multi-element oxide, it represents a stable configuration within its chemical space, making it an intriguing subject for solid-state research.
Given its near-hull thermodynamic stability, this compound is considered a viable target for synthesis. Its structural complexity and insulating nature position it as a potential candidate for specialized applications in materials science where stable, wide-gap dielectric properties are required.
Key Properties
Cross-validated computational properties for Li2SnP2O7, 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.
Reported Structures
Lowest-energy structures reported for Li2SnP2O7, 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 | 3.93 | 0.0170 | -6.996 | 3.32 |
| P-1 (No. 2) | triclinic | 4.15 | 0.0198 | -6.993 | 3.25 |
| P21/c (No. 14) | monoclinic | 4.07 | 0.0204 | -6.993 | 3.27 |
| P21/c (No. 14) | monoclinic | 4.10 | 0.0262 | -6.987 | 3.26 |
| P-1 (No. 2) | triclinic | 3.77 | 0.0367 | -6.976 | 3.46 |
| P21/c (No. 14) | monoclinic | 3.50 | 0.0410 | -6.972 | 3.26 |
| P1 (No. 1) | triclinic | 3.29 | 0.0630 | -6.950 | 3.12 |
| P21/c (No. 14) | monoclinic | 3.09 | 0.0633 | -6.950 | 3.20 |
| C2/c (No. 15) | monoclinic | 2.24 | 0.0858 | -6.927 | 2.89 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.53 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.25 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.68 |
Applications
Where Li2SnP2O7 is used.
Frequently Asked Questions
Common questions about Li2SnP2O7, answered from cross-validated data.
What is Li2SnP2O7?
Li2SnP2O7 is a wide-gap insulating phosphate compound that exhibits high thermodynamic stability and structural versatility.
What is Li2SnP2O7 used for?
What is the band gap of Li2SnP2O7?
Is Li2SnP2O7 a metal, semiconductor, or insulator?
Is Li2SnP2O7 thermodynamically stable?
What is the crystal structure of Li2SnP2O7?
What is the density of Li2SnP2O7?
How many polymorphs of Li2SnP2O7 are known?
What elements does Li2SnP2O7 contain?
Where does the data for Li2SnP2O7 come from?
How It Compares
As a member of the broader class of lithium-containing phosphate materials, Li2SnP2O7 serves as a distinct example of how tin incorporation influences the structural landscape of these compounds. It stands out for its high degree of structural data availability, reflecting its significance as a well-characterized target for researchers exploring new inorganic frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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