C2H10Nd2O14P2
This is a wide-gap insulating neodymium phosphate compound that exists in a metastable state.
About C2H10Nd2O14P2
C2H10Nd2O14P2 is a complex rare-earth phosphate characterized by its wide-band-gap insulating electronic nature. As a material containing neodymium, it is of interest for its potential optical and structural properties within specialized coordination chemistry.
While this compound has been identified across multiple structural databases, its thermodynamic profile indicates it sits above the hull. This suggests that it may be metastable under ambient conditions, requiring specific synthesis pathways to stabilize its crystalline arrangement.
Key Properties
Cross-validated computational properties for C2H10Nd2O14P2, aggregated across 4 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 C2H10Nd2O14P2, 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 | 3.73 | 0.1125 | -6.731 | 2.89 |
| No. 0 | unknown | — | — | — | 1.49 |
| — | — | — | — | — | 2.93 |
| P-1 (No. 2) | — | — | — | — | — |
Frequently Asked Questions
Common questions about C2H10Nd2O14P2, answered from cross-validated data.
What is C2H10Nd2O14P2?
This is a wide-gap insulating neodymium phosphate compound that exists in a metastable state.
What is the band gap of C2H10Nd2O14P2?
Is C2H10Nd2O14P2 a metal, semiconductor, or insulator?
Is C2H10Nd2O14P2 thermodynamically stable?
What is the crystal structure of C2H10Nd2O14P2?
What is the density of C2H10Nd2O14P2?
How many polymorphs of C2H10Nd2O14P2 are known?
What elements does C2H10Nd2O14P2 contain?
Where does the data for C2H10Nd2O14P2 come from?
How It Compares
As a unique neodymium-based phosphate, this compound serves as a specialized example of rare-earth coordination chemistry. Without direct structural siblings in this specific class, it stands as a distinct case study for how lanthanide ions integrate into complex oxygen-phosphorus frameworks.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze C2H10Nd2O14P2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →