BaMoO4
Barium molybdate · Barium molybdenum oxide
Barium molybdate is an inorganic crystalline compound that exhibits interesting optical and electronic properties. It is primarily utilized in advanced materials research for its role in laser technology and as a precursor for various functional ceramics.
Key Properties
Cross-validated computational properties for Barium molybdate, 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 BaMoO4, 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. |
|---|---|---|---|---|---|
| I41/a (No. 88) | tetragonal | 3.79 | 0.0000 | -8.081 | 4.87 |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | Tetragonal | — | — | — | 4.64 |
| I41/a (No. 88) | Tetragonal | — | — | — | 5.22 |
| I41/a (No. 88) | Tetragonal | — | — | — | 4.80 |
Synthesis Routes
Literature-extracted synthesis procedures targeting BaMoO4.
Applications
Where Barium molybdate is used.
Frequently Asked Questions
Common questions about Barium molybdate, answered from cross-validated data.
What is BaMoO4?
Barium molybdate is an inorganic crystalline compound that exhibits interesting optical and electronic properties. It is primarily utilized in advanced materials research for its role in laser technology and as a precursor for various functional ceramics.
What is BaMoO4 used for?
What is the band gap of BaMoO4?
Is BaMoO4 a metal, semiconductor, or insulator?
Is BaMoO4 thermodynamically stable?
What is the crystal structure of BaMoO4?
What is the density of BaMoO4?
How many polymorphs of BaMoO4 are known?
How is BaMoO4 synthesized?
What elements does BaMoO4 contain?
Where does the data for BaMoO4 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).
- mpaloe — Data from mpaloe.
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