K2Mo2O7
potassium dimolybdate · potassium dimolybdate
Potassium dimolybdate is a crystalline inorganic compound composed of potassium, molybdenum, and oxygen. It is primarily utilized as a chemical reagent and a precursor in the synthesis of various molybdenum-based materials and catalysts.
KMoO
Overview
Key Properties
Cross-validated computational properties for potassium dimolybdate, 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.
3.41 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
4 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for K2Mo2O7, 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-1 (No. 2) | triclinic | 3.41 | 0.0000 | -7.467 | 3.63 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.36 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.74 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.46 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 2.33 |
Uses
Applications
Where potassium dimolybdate is used.
chemical synthesiscatalyst preparationmaterials science research
Reference
Frequently Asked Questions
Common questions about potassium dimolybdate, answered from cross-validated data.
What is K2Mo2O7?
Potassium dimolybdate is a crystalline inorganic compound composed of potassium, molybdenum, and oxygen. It is primarily utilized as a chemical reagent and a precursor in the synthesis of various molybdenum-based materials and catalysts.
What is K2Mo2O7 used for?
potassium dimolybdate (K2Mo2O7) is used in chemical synthesis, catalyst preparation, and materials science research.
What is the band gap of K2Mo2O7?
potassium dimolybdate (K2Mo2O7) has a DFT-computed band gap of 3.41 eV across 6 reported structures.
Is K2Mo2O7 a metal, semiconductor, or insulator?
With a wide band gap up to 3.41 eV it is an insulator / wide-band-gap material.
Is K2Mo2O7 thermodynamically stable?
Yes — potassium dimolybdate (K2Mo2O7) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K2Mo2O7?
The lowest-energy reported polymorph of potassium dimolybdate (K2Mo2O7) is triclinic symmetry, space group P-1 (No. 2).
What is the density of K2Mo2O7?
The computed density of the ground-state structure of potassium dimolybdate (K2Mo2O7) is 3.63 g/cm³.
How many polymorphs of K2Mo2O7 are known?
6 structures of K2Mo2O7 are reported across 4 databases, spanning 1 distinct space group.
What elements does K2Mo2O7 contain?
potassium dimolybdate (K2Mo2O7) contains K, Mo, and O (3 elements).
Where does the data for K2Mo2O7 come from?
K2Mo2O7 data is cross-referenced from materials_project, mpaloe, jarvis, omat24.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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