H4Ni2O10Se2
H4Ni2O10Se2 is a thermodynamically stable, semiconducting inorganic compound composed of hydrogen, nickel, oxygen, and selenium.
About H4Ni2O10Se2
H4Ni2O10Se2 is a complex inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of hydrogen, nickel, oxygen, and selenium atoms.
This material is notable for its structural diversity, supported by multiple reported configurations across research databases. Its stability and electronic profile make it a subject of interest for fundamental studies in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for H4Ni2O10Se2, 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.
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 H4Ni2O10Se2, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.99 | 0.0000 | -5.787 | 3.96 |
| C2/c (No. 15) | monoclinic | 2.31 | 0.1199 | -5.667 | 3.80 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 3.76 |
Frequently Asked Questions
Common questions about H4Ni2O10Se2, answered from cross-validated data.
What is H4Ni2O10Se2?
H4Ni2O10Se2 is a thermodynamically stable, semiconducting inorganic compound composed of hydrogen, nickel, oxygen, and selenium.
What is the band gap of H4Ni2O10Se2?
Is H4Ni2O10Se2 a metal, semiconductor, or insulator?
Is H4Ni2O10Se2 thermodynamically stable?
What is the crystal structure of H4Ni2O10Se2?
What is the density of H4Ni2O10Se2?
How many polymorphs of H4Ni2O10Se2 are known?
What elements does H4Ni2O10Se2 contain?
Where does the data for H4Ni2O10Se2 come from?
How It Compares
As a unique inorganic phase, H4Ni2O10Se2 occupies a distinct position in materials research, serving as a stable building block that demonstrates the structural complexity possible within nickel-selenium-oxygen systems.
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).
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