C2Gd2H10O14P2
Gadolinium oxalate phosphate · Gadolinium(III) oxalate phosphate
This compound is a complex inorganic salt containing gadolinium, oxalate, and phosphate groups. It is primarily utilized in specialized chemical research and as a precursor material for the synthesis of advanced gadolinium-based ceramic or luminescent materials.
CGdHOP
Overview
Key Properties
Cross-validated computational properties for Gadolinium oxalate phosphate, 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.
3.27 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.
0.116 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.
Above hull
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 C2Gd2H10O14P2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 3.27 | 0.1157 | -7.351 | 3.15 |
| No. 0 | unknown | — | — | — | 1.62 |
| P-1 (No. 2) | — | — | — | — | — |
Uses
Applications
Where Gadolinium oxalate phosphate is used.
Materials science researchPrecursor for luminescent materialsSynthesis of gadolinium-based ceramics
Reference
Frequently Asked Questions
Common questions about Gadolinium oxalate phosphate, answered from cross-validated data.
What is C2Gd2H10O14P2?
This compound is a complex inorganic salt containing gadolinium, oxalate, and phosphate groups. It is primarily utilized in specialized chemical research and as a precursor material for the synthesis of advanced gadolinium-based ceramic or luminescent materials.
What is C2Gd2H10O14P2 used for?
Gadolinium oxalate phosphate (C2Gd2H10O14P2) is used in materials science research, precursor for luminescent materials, and synthesis of gadolinium-based ceramics.
What is the band gap of C2Gd2H10O14P2?
Gadolinium oxalate phosphate (C2Gd2H10O14P2) has a DFT-computed band gap of 3.27 eV across 3 reported structures.
Is C2Gd2H10O14P2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.27 eV it is an insulator / wide-band-gap material.
Is C2Gd2H10O14P2 thermodynamically stable?
Gadolinium oxalate phosphate (C2Gd2H10O14P2) has a lowest energy above hull of 0.116 eV/atom (above hull).
What is the crystal structure of C2Gd2H10O14P2?
The lowest-energy reported polymorph of Gadolinium oxalate phosphate (C2Gd2H10O14P2) is triclinic symmetry, space group P-1 (No. 2).
What is the density of C2Gd2H10O14P2?
The computed density of the ground-state structure of Gadolinium oxalate phosphate (C2Gd2H10O14P2) is 3.15 g/cm³.
How many polymorphs of C2Gd2H10O14P2 are known?
3 structures of C2Gd2H10O14P2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C2Gd2H10O14P2 contain?
Gadolinium oxalate phosphate (C2Gd2H10O14P2) contains C, Gd, H, O, and P (5 elements).
Where does the data for C2Gd2H10O14P2 come from?
C2Gd2H10O14P2 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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