H20O28P4V4
H20O28P4V4 is a semiconducting vanadium-based phosphate that is theoretically stable enough to be synthesized for potential use in advanced materials applications.
About H20O28P4V4
H20O28P4V4 is a complex transition-metal phosphate characterized by its semiconducting electronic nature. Its composition, involving hydrogen, oxygen, phosphorus, and vanadium, places it in a specialized category of hydrated inorganic frameworks that are of significant interest for structural chemistry.
As a near-hull material, it is considered a prime candidate for experimental synthesis. Its structural complexity suggests it may play a role in developing new functional materials where specific coordination environments are required for energy storage or catalytic processes.
Key Properties
Cross-validated computational properties for H20O28P4V4, 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 H20O28P4V4, 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/c (No. 14) | monoclinic | 2.01 | 0.0084 | -6.614 | 2.45 |
| P21/c (No. 14) | monoclinic | 1.89 | 0.0611 | -6.561 | 2.31 |
| — | — | — | — | — | 2.50 |
| — | — | — | — | — | 2.50 |
| — | — | — | — | — | 2.48 |
| No. 0 | unknown | — | — | — | 0.62 |
Applications
Where H20O28P4V4 is used.
Frequently Asked Questions
Common questions about H20O28P4V4, answered from cross-validated data.
What is H20O28P4V4?
H20O28P4V4 is a semiconducting vanadium-based phosphate that is theoretically stable enough to be synthesized for potential use in advanced materials applications.
What is H20O28P4V4 used for?
What is the band gap of H20O28P4V4?
Is H20O28P4V4 a metal, semiconductor, or insulator?
Is H20O28P4V4 thermodynamically stable?
What is the crystal structure of H20O28P4V4?
What is the density of H20O28P4V4?
How many polymorphs of H20O28P4V4 are known?
What elements does H20O28P4V4 contain?
Where does the data for H20O28P4V4 come from?
How It Compares
Within the transition-metal phosphates class.
Within the broader family of transition-metal phosphates, H20O28P4V4 occupies a distinct niche compared to well-known battery cathode materials like LiFePO4 or LiMnPO4. While its siblings are primarily studied for their robust olivine frameworks and ion-conduction properties, this vanadium-based phosphate offers a different structural architecture that highlights the diversity of the class beyond the standard lithium-metal phosphate motifs seen in compounds like LiCoPO4 or LiFeP2O7.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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