H4O20Pr4S4
Praseodymium sulfate hydrate · Praseodymium(III) sulfate octahydrate
Praseodymium sulfate is a crystalline inorganic compound containing praseodymium, sulfur, and oxygen. It is primarily utilized as a precursor for the synthesis of other praseodymium-based materials and as a chemical reagent in specialized research applications.
HOPrS
Overview
Key Properties
Cross-validated computational properties for Praseodymium sulfate hydrate, 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.
5.62 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for H4O20Pr4S4, 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 | 5.62 | 0.0000 | -7.151 | 4.39 |
| No. 0 | unknown | — | — | — | 1.14 |
| No. 0 | unknown | — | — | — | 1.14 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
Uses
Applications
Where Praseodymium sulfate hydrate is used.
Chemical synthesisMaterials science researchCatalyst preparation
Reference
Frequently Asked Questions
Common questions about Praseodymium sulfate hydrate, answered from cross-validated data.
What is H4O20Pr4S4?
Praseodymium sulfate is a crystalline inorganic compound containing praseodymium, sulfur, and oxygen. It is primarily utilized as a precursor for the synthesis of other praseodymium-based materials and as a chemical reagent in specialized research applications.
What is H4O20Pr4S4 used for?
Praseodymium sulfate hydrate (H4O20Pr4S4) is used in chemical synthesis, materials science research, and catalyst preparation.
What is the band gap of H4O20Pr4S4?
Praseodymium sulfate hydrate (H4O20Pr4S4) has a DFT-computed band gap of 5.62 eV across 5 reported structures.
Is H4O20Pr4S4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.62 eV it is an insulator / wide-band-gap material.
Is H4O20Pr4S4 thermodynamically stable?
Yes — Praseodymium sulfate hydrate (H4O20Pr4S4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of H4O20Pr4S4?
The lowest-energy reported polymorph of Praseodymium sulfate hydrate (H4O20Pr4S4) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of H4O20Pr4S4?
The computed density of the ground-state structure of Praseodymium sulfate hydrate (H4O20Pr4S4) is 4.39 g/cm³.
How many polymorphs of H4O20Pr4S4 are known?
5 structures of H4O20Pr4S4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H4O20Pr4S4 contain?
Praseodymium sulfate hydrate (H4O20Pr4S4) contains H, O, Pr, and S (4 elements).
Where does the data for H4O20Pr4S4 come from?
H4O20Pr4S4 data is cross-referenced from materials_project, cod, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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