Ba4F4O24P4U4
Ba4F4O24P4U4 is a thermodynamically stable, semiconducting crystalline compound composed of barium, fluorine, oxygen, phosphorus, and uranium.
About Ba4F4O24P4U4
Ba4F4O24P4U4 is a complex inorganic compound featuring barium, fluorine, oxygen, phosphorus, and uranium. Its composition suggests a sophisticated structural framework that maintains thermodynamic stability on the convex hull, indicating a robust arrangement of its constituent elements.
As a semiconducting material, it holds interest for researchers investigating the electronic properties of uranium-bearing phosphates. Its unique combination of elements positions it as a subject of study for understanding how heavy metal integration influences the electronic behavior of complex crystalline lattices.
Key Properties
Cross-validated computational properties for Ba4F4O24P4U4, 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 Ba4F4O24P4U4, 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 | 2.11 | 0.0000 | -8.475 | 5.50 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.46 |
Applications
Where Ba4F4O24P4U4 is used.
Frequently Asked Questions
Common questions about Ba4F4O24P4U4, answered from cross-validated data.
What is Ba4F4O24P4U4?
Ba4F4O24P4U4 is a thermodynamically stable, semiconducting crystalline compound composed of barium, fluorine, oxygen, phosphorus, and uranium.
What is Ba4F4O24P4U4 used for?
What is the band gap of Ba4F4O24P4U4?
Is Ba4F4O24P4U4 a metal, semiconductor, or insulator?
Is Ba4F4O24P4U4 thermodynamically stable?
What is the crystal structure of Ba4F4O24P4U4?
What is the density of Ba4F4O24P4U4?
How many polymorphs of Ba4F4O24P4U4 are known?
What elements does Ba4F4O24P4U4 contain?
Where does the data for Ba4F4O24P4U4 come from?
How It Compares
As a specialized uranium-containing phosphate, this compound represents a distinct structural arrangement within the broader landscape of complex inorganic solids. Unlike more common binary or ternary materials, its multi-element composition allows for unique electronic tuning, serving as a benchmark for exploring the stability and semiconducting characteristics of heavy-metal-doped phosphate frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze Ba4F4O24P4U4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →