H4Nd4O20S4
H4Nd4O20S4 is a stable, wide-gap insulating compound composed of hydrogen, neodymium, oxygen, and sulfur.
About H4Nd4O20S4
H4Nd4O20S4 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.
This material is of significant interest to researchers investigating rare-earth-based frameworks. Its stability and electronic properties make it a subject of study for potential applications in specialized optical or electronic components where insulating behavior is required.
Key Properties
Cross-validated computational properties for H4Nd4O20S4, 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 H4Nd4O20S4, 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 | 5.56 | 0.0000 | -7.153 | 4.68 |
| No. 0 | unknown | — | — | — | 1.17 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.17 |
Applications
Where H4Nd4O20S4 is used.
Frequently Asked Questions
Common questions about H4Nd4O20S4, answered from cross-validated data.
What is H4Nd4O20S4?
H4Nd4O20S4 is a stable, wide-gap insulating compound composed of hydrogen, neodymium, oxygen, and sulfur.
What is H4Nd4O20S4 used for?
What is the band gap of H4Nd4O20S4?
Is H4Nd4O20S4 a metal, semiconductor, or insulator?
Is H4Nd4O20S4 thermodynamically stable?
What is the crystal structure of H4Nd4O20S4?
What is the density of H4Nd4O20S4?
How many polymorphs of H4Nd4O20S4 are known?
What elements does H4Nd4O20S4 contain?
Where does the data for H4Nd4O20S4 come from?
How It Compares
As a thermodynamically stable member of its chemical system, H4Nd4O20S4 serves as a foundational reference point for exploring the structural diversity of hydrated rare-earth sulfates. Its position on the convex hull indicates a high degree of stability compared to other potential phases in this compositional space.
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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