LiTiP2O7
LiTiP2O7 is a semiconducting titanate anode material used in electrochemical energy storage research.
About LiTiP2O7
LiTiP2O7 is a semiconducting titanate compound that functions as an anode material in electrochemical systems. Its structural framework allows for the insertion and extraction of ions, making it a subject of interest for battery technology research.
As a metastable phase, this material exhibits unique structural characteristics that distinguish it from more conventional titanate anodes. It is extensively documented in materials databases, reflecting its significance in the ongoing search for high-performance electrode materials.
Key Properties
Cross-validated computational properties for LiTiP2O7, 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 LiTiP2O7, 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 | 0.17 | 0.0539 | -7.887 | 2.78 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0753 | -7.866 | 3.09 |
| C2/c (No. 15) | monoclinic | 0.12 | 0.0757 | -7.866 | 3.02 |
| P1 (No. 1) | triclinic | 0.21 | 0.0759 | -7.865 | 3.02 |
| P-1 (No. 2) | triclinic | 0.11 | 0.0827 | -7.858 | 2.94 |
| P21/c (No. 14) | monoclinic | 0.17 | 0.0896 | -7.852 | 2.82 |
| P21/c (No. 14) | monoclinic | 0.16 | 0.0906 | -7.851 | 2.87 |
| P21/c (No. 14) | monoclinic | 0.04 | 0.0923 | -7.849 | 3.10 |
| P21/c (No. 14) | monoclinic | 0.11 | 0.0968 | -7.844 | 2.96 |
| P21/c (No. 14) | monoclinic | 0.28 | 0.0985 | -7.843 | 2.79 |
| P21/c (No. 14) | monoclinic | 0.22 | 0.1140 | -7.827 | 2.62 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.83 |
Applications
Where LiTiP2O7 is used.
Frequently Asked Questions
Common questions about LiTiP2O7, answered from cross-validated data.
What is LiTiP2O7?
LiTiP2O7 is a semiconducting titanate anode material used in electrochemical energy storage research.
What is LiTiP2O7 used for?
What is the band gap of LiTiP2O7?
Is LiTiP2O7 a metal, semiconductor, or insulator?
Is LiTiP2O7 thermodynamically stable?
What is the crystal structure of LiTiP2O7?
What is the density of LiTiP2O7?
How many polymorphs of LiTiP2O7 are known?
What elements does LiTiP2O7 contain?
Where does the data for LiTiP2O7 come from?
How It Compares
Within the titanate anodes class.
Within the diverse family of titanate anodes, LiTiP2O7 occupies a distinct structural niche compared to layered or tunnel-structured materials like Li2Ti3O7 or Na2Ti3O7. While many of its siblings focus on specific lattice architectures to facilitate ion transport, this compound leverages its unique phosphate-based framework to manage electrochemical performance, setting it apart from the oxide-heavy compositions of Li2TiO3 or Li2TiFeO4.
Related Compounds
Other Titanate Anodes in the database.
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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