Cl2Er2H4O4
This compound is an erbium-based inorganic salt containing chloride and hydroxide components. It is primarily utilized as a precursor in the synthesis of specialized erbium materials and as a reagent in chemical research.
ClErHO
Overview
Key Properties
Cross-validated computational properties for Cl2Er2H4O4, 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.
4.92 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.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cl2Er2H4O4, 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 | 4.92 | 0.0000 | -6.281 | 5.50 |
| P21/m (No. 11) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.75 |
Uses
Applications
Where Cl2Er2H4O4 is used.
Chemical synthesis precursorMaterials science researchLaboratory reagent
Reference
Frequently Asked Questions
Common questions about Cl2Er2H4O4, answered from cross-validated data.
What is Cl2Er2H4O4?
This compound is an erbium-based inorganic salt containing chloride and hydroxide components. It is primarily utilized as a precursor in the synthesis of specialized erbium materials and as a reagent in chemical research.
More questions
What is Cl2Er2H4O4 used for?
Cl2Er2H4O4 is used in chemical synthesis precursor, materials science research, and laboratory reagent.
What is the band gap of Cl2Er2H4O4?
Cl2Er2H4O4 has a DFT-computed band gap of 4.92 eV across 3 reported structures.
Is Cl2Er2H4O4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.92 eV it is an insulator / wide-band-gap material.
Is Cl2Er2H4O4 thermodynamically stable?
Yes — Cl2Er2H4O4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl2Er2H4O4?
The lowest-energy reported polymorph of Cl2Er2H4O4 is monoclinic symmetry, space group P21/m (No. 11).
What is the density of Cl2Er2H4O4?
The computed density of the ground-state structure of Cl2Er2H4O4 is 5.50 g/cm³.
How many polymorphs of Cl2Er2H4O4 are known?
3 structures of Cl2Er2H4O4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Cl2Er2H4O4 contain?
Cl2Er2H4O4 contains Cl, Er, H, and O (4 elements).
Where does the data for Cl2Er2H4O4 come from?
Cl2Er2H4O4 data is cross-referenced from materials_project, aflow, cod.
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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