MoAs2O7
Molybdenum diarsenate is a crystalline inorganic compound that functions as a metal arsenate. It is primarily utilized in specialized research contexts for investigating solid-state chemistry and the structural properties of transition metal arsenates.
Key Properties
Cross-validated computational properties for MoAs2O7, 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 MoAs2O7, 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 | 2.52 | 0.0000 | -7.210 | 4.13 |
| P21/c (No. 14) | monoclinic | 3.01 | 0.0365 | -7.173 | 3.63 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.06 |
Applications
Where MoAs2O7 is used.
Frequently Asked Questions
Common questions about MoAs2O7, answered from cross-validated data.
What is MoAs2O7?
Molybdenum diarsenate is a crystalline inorganic compound that functions as a metal arsenate. It is primarily utilized in specialized research contexts for investigating solid-state chemistry and the structural properties of transition metal arsenates.
What is MoAs2O7 used for?
What is the band gap of MoAs2O7?
Is MoAs2O7 a metal, semiconductor, or insulator?
Is MoAs2O7 thermodynamically stable?
What is the crystal structure of MoAs2O7?
What is the density of MoAs2O7?
How many polymorphs of MoAs2O7 are known?
What elements does MoAs2O7 contain?
Where does the data for MoAs2O7 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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