Cl2Gd2H4O4
This compound is a gadolinium-based hydroxychloride material. It is primarily utilized in specialized chemical synthesis and as a precursor for developing advanced inorganic materials.
ClGdHO
Overview
Key Properties
Cross-validated computational properties for Cl2Gd2H4O4, 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.
3.04 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.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cl2Gd2H4O4, 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 | 3.04 | 0.0000 | -7.829 | 5.06 |
| No. 0 | unknown | — | — | — | 2.58 |
| P21/m (No. 11) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.62 |
Uses
Applications
Where Cl2Gd2H4O4 is used.
Chemical synthesisMaterials science researchPrecursor for gadolinium-based compounds
Intellectual Property
Patent Landscape
1 patent reference Cl2Gd2H4O4 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 8248032 | Charging system for prioritizing load consumption in a notebook computer | — | — |
Reference
Frequently Asked Questions
Common questions about Cl2Gd2H4O4, answered from cross-validated data.
What is Cl2Gd2H4O4?
This compound is a gadolinium-based hydroxychloride material. It is primarily utilized in specialized chemical synthesis and as a precursor for developing advanced inorganic materials.
More questions
What is Cl2Gd2H4O4 used for?
Cl2Gd2H4O4 is used in chemical synthesis, materials science research, and precursor for gadolinium-based compounds.
What is the band gap of Cl2Gd2H4O4?
Cl2Gd2H4O4 has a DFT-computed band gap of 3.04 eV across 4 reported structures.
Is Cl2Gd2H4O4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.04 eV it is an insulator / wide-band-gap material.
Is Cl2Gd2H4O4 thermodynamically stable?
Yes — Cl2Gd2H4O4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl2Gd2H4O4?
The lowest-energy reported polymorph of Cl2Gd2H4O4 is monoclinic symmetry, space group P21/m (No. 11).
What is the density of Cl2Gd2H4O4?
The computed density of the ground-state structure of Cl2Gd2H4O4 is 5.06 g/cm³.
How many polymorphs of Cl2Gd2H4O4 are known?
4 structures of Cl2Gd2H4O4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cl2Gd2H4O4 contain?
Cl2Gd2H4O4 contains Cl, Gd, H, and O (4 elements).
Where does the data for Cl2Gd2H4O4 come from?
Cl2Gd2H4O4 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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