Li12O58P16V6
Li12O58P16V6 is a semiconducting vanadium phosphate material being investigated for use in high-performance battery cathodes.
About Li12O58P16V6
Li12O58P16V6 is a complex vanadium phosphate compound that functions as a semiconducting material. Its structural arrangement suggests it is a promising candidate for electrochemical applications, particularly within the field of advanced battery technology where vanadium-based polyanion frameworks are highly valued.
As a near-hull material, it is considered likely synthesizable under controlled laboratory conditions. Its stability and electronic properties make it a subject of interest for researchers seeking to optimize ion transport and structural integrity in next-generation cathode architectures.
Key Properties
Cross-validated computational properties for Li12O58P16V6, 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 Li12O58P16V6, 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-3c1 (No. 165) | trigonal | 0.00 | 0.0182 | -7.565 | 2.60 |
| Cc (No. 9) | monoclinic | 1.48 | 0.0184 | -7.565 | 2.57 |
| P1 (No. 1) | triclinic | 1.10 | 0.0192 | -7.564 | 2.58 |
| P1 (No. 1) | triclinic | 1.15 | 0.0194 | -7.564 | 2.58 |
| P1 (No. 1) | triclinic | 1.39 | 0.0194 | -7.564 | 2.58 |
| P1 (No. 1) | triclinic | 1.20 | 0.0195 | -7.564 | 2.56 |
| P1 (No. 1) | triclinic | 1.46 | 0.0197 | -7.563 | 2.59 |
| P1 (No. 1) | triclinic | 1.23 | 0.0197 | -7.563 | 2.56 |
| P1 (No. 1) | triclinic | 0.97 | 0.0198 | -7.563 | 2.57 |
| P1 (No. 1) | triclinic | 1.33 | 0.0206 | -7.562 | 2.59 |
| P1 (No. 1) | triclinic | 1.08 | 0.0207 | -7.562 | 2.59 |
| P1 (No. 1) | triclinic | 1.31 | 0.0207 | -7.562 | 2.57 |
Applications
Where Li12O58P16V6 is used.
Frequently Asked Questions
Common questions about Li12O58P16V6, answered from cross-validated data.
What is Li12O58P16V6?
Li12O58P16V6 is a semiconducting vanadium phosphate material being investigated for use in high-performance battery cathodes.
What is Li12O58P16V6 used for?
What is the band gap of Li12O58P16V6?
Is Li12O58P16V6 a metal, semiconductor, or insulator?
Is Li12O58P16V6 thermodynamically stable?
What is the crystal structure of Li12O58P16V6?
What is the density of Li12O58P16V6?
How many polymorphs of Li12O58P16V6 are known?
What elements does Li12O58P16V6 contain?
Where does the data for Li12O58P16V6 come from?
How It Compares
Within the vanadium phosphate cathodes class.
Within the diverse family of vanadium phosphate cathodes, Li12O58P16V6 occupies a unique position due to its specific stoichiometry compared to simpler counterparts like LiVPO4 or LiVP2O7. While many members of this class are characterized by their rigid polyanion networks, this compound offers a distinct structural complexity that differentiates it from the more commonly studied LiVP3HO10 or Li5O29P8V3 variations.
Related Compounds
Other Vanadium Phosphate Cathodes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
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