Mo2P2O11
Mo2P2O11 is a thermodynamically stable, semiconducting molybdenum phosphate compound.
About Mo2P2O11
Mo2P2O11 is a molybdenum-based phosphate compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within the molybdenum-phosphorus-oxygen system.
This material is of interest for researchers investigating complex oxide frameworks. Its stability and electronic properties make it a subject of study for potential applications in catalysis or solid-state electronics where specific semiconducting behavior is required.
Key Properties
Cross-validated computational properties for Mo2P2O11, aggregated across 4 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 Mo2P2O11, 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/m (No. 11) | monoclinic | 2.03 | 0.0000 | -8.061 | 3.46 |
| P-1 (No. 2) | triclinic | 1.99 | 0.0008 | -8.060 | 3.30 |
| P21/m (No. 11) | monoclinic | 1.80 | 0.0027 | -8.059 | 3.40 |
| Pnma (No. 62) | orthorhombic | 2.87 | 0.0164 | -8.045 | 3.27 |
| Pm (No. 6) | monoclinic | 0.00 | 0.2654 | -7.796 | 3.26 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.29 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.67 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.38 |
| P21/c (No. 14) | monoclinic | — | — | — | 0.87 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Mo2P2O11 is used.
Frequently Asked Questions
Common questions about Mo2P2O11, answered from cross-validated data.
What is Mo2P2O11?
Mo2P2O11 is a thermodynamically stable, semiconducting molybdenum phosphate compound.
What is Mo2P2O11 used for?
What is the band gap of Mo2P2O11?
Is Mo2P2O11 a metal, semiconductor, or insulator?
Is Mo2P2O11 thermodynamically stable?
What is the crystal structure of Mo2P2O11?
What is the density of Mo2P2O11?
How many polymorphs of Mo2P2O11 are known?
What elements does Mo2P2O11 contain?
Where does the data for Mo2P2O11 come from?
How It Compares
As a distinct member of the molybdenum phosphate family, Mo2P2O11 occupies a stable position in the phase space. Unlike less stable variants that may require specific synthesis conditions, this compound is thermodynamically favored, providing a reliable baseline for exploring the functional properties of molybdenum-based polyanionic materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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