O14P2V2
O14P2V2 is a semiconducting transition-metal phosphate compound that exists in a metastable state.
About O14P2V2
O14P2V2 is a transition-metal phosphate characterized by its semiconducting electronic nature. As a complex oxide, it represents a specific configuration of vanadium and phosphorus that contributes to the diversity of this chemical family.
While this compound is currently identified as residing above the thermodynamic hull, it remains a subject of interest for researchers investigating metastable phases in transition-metal systems. Its structural framework provides insight into the potential coordination environments possible within phosphate-based materials.
Key Properties
Cross-validated computational properties for O14P2V2, 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 O14P2V2, 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 | 1.36 | 0.3845 | -7.021 | 2.40 |
| P-1 (No. 2) | triclinic | 0.22 | 0.4656 | -6.940 | 2.31 |
| P21/c (No. 14) | monoclinic | 1.60 | 0.4889 | -6.916 | 2.09 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.4944 | -6.911 | 2.21 |
| No. 0 | unknown | — | — | — | 0.60 |
| — | — | — | — | — | 2.38 |
Frequently Asked Questions
Common questions about O14P2V2, answered from cross-validated data.
What is O14P2V2?
O14P2V2 is a semiconducting transition-metal phosphate compound that exists in a metastable state.
What is the band gap of O14P2V2?
Is O14P2V2 a metal, semiconductor, or insulator?
Is O14P2V2 thermodynamically stable?
What is the crystal structure of O14P2V2?
What is the density of O14P2V2?
How many polymorphs of O14P2V2 are known?
What elements does O14P2V2 contain?
Where does the data for O14P2V2 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the highly stable and widely utilized battery materials such as LiFePO4 or LiMnPO4, O14P2V2 exists in a less stable state, placing it in contrast to the robust olivine-structured phosphates that dominate energy storage applications.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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