Cl2H4Nd2O4
Cl2H4Nd2O4 is a thermodynamically stable, insulating neodymium compound that serves as a specialized material for advanced chemical research.
About Cl2H4Nd2O4
Cl2H4Nd2O4 is a thermodynamically stable compound that exists on the convex hull, indicating a robust structural configuration. As a wide-band-gap insulator, it exhibits electronic properties typical of materials that resist electrical conduction, making it a subject of interest for fundamental materials research.
Its composition, incorporating neodymium, chlorine, and hydrogen-bearing oxygen groups, defines its unique chemical identity. The material is characterized by its structural consistency, supported by multiple documented structural arrangements that highlight its stability within the solid state.
Key Properties
Cross-validated computational properties for Cl2H4Nd2O4, 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 Cl2H4Nd2O4, 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/m (No. 11) | monoclinic | 4.87 | 0.0000 | -6.285 | 4.55 |
| P21/m (No. 11) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.36 |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Cl2H4Nd2O4 is used.
Frequently Asked Questions
Common questions about Cl2H4Nd2O4, answered from cross-validated data.
What is Cl2H4Nd2O4?
Cl2H4Nd2O4 is a thermodynamically stable, insulating neodymium compound that serves as a specialized material for advanced chemical research.
What is Cl2H4Nd2O4 used for?
What is the band gap of Cl2H4Nd2O4?
Is Cl2H4Nd2O4 a metal, semiconductor, or insulator?
Is Cl2H4Nd2O4 thermodynamically stable?
What is the crystal structure of Cl2H4Nd2O4?
What is the density of Cl2H4Nd2O4?
How many polymorphs of Cl2H4Nd2O4 are known?
What elements does Cl2H4Nd2O4 contain?
Where does the data for Cl2H4Nd2O4 come from?
How It Compares
As a distinct inorganic compound, Cl2H4Nd2O4 serves as a foundational example of rare-earth-based insulating materials. It occupies a specialized niche where its thermodynamic stability ensures it remains a reliable reference point for ongoing studies into the synthesis and characterization of complex neodymium-based halides.
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).
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