C2H10Ho2O14P2
C2H10Ho2O14P2 is an insulating holmium-based complex that exhibits thermodynamic instability.
About C2H10Ho2O14P2
C2H10Ho2O14P2 is a complex holmium-containing compound that functions as a wide-gap insulator. Its electronic structure is defined by its insulating nature, which limits charge carrier mobility and influences its potential interactions within chemical systems. The material is categorized as being above the hull, suggesting it is thermodynamically unstable under standard conditions. Despite this, it has been identified in multiple structural databases, reflecting ongoing interest in its specific atomic arrangement and coordination environment.
Key Properties
Cross-validated computational properties for C2H10Ho2O14P2, 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 C2H10Ho2O14P2, 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 | 0.1196 | -6.735 | 3.36 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 3.40 |
| No. 0 | unknown | — | — | — | 1.72 |
Frequently Asked Questions
Common questions about C2H10Ho2O14P2, answered from cross-validated data.
What is C2H10Ho2O14P2?
C2H10Ho2O14P2 is an insulating holmium-based complex that exhibits thermodynamic instability.
What is the band gap of C2H10Ho2O14P2?
Is C2H10Ho2O14P2 a metal, semiconductor, or insulator?
Is C2H10Ho2O14P2 thermodynamically stable?
What is the crystal structure of C2H10Ho2O14P2?
What is the density of C2H10Ho2O14P2?
How many polymorphs of C2H10Ho2O14P2 are known?
What elements does C2H10Ho2O14P2 contain?
Where does the data for C2H10Ho2O14P2 come from?
How It Compares
As a unique holmium-based complex, this compound represents a specialized entry in the landscape of lanthanide-containing materials. Without direct structural siblings in this specific class, it serves as a distinct case study for understanding the stability challenges inherent in complex holmium-phosphorus-oxygen frameworks.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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