As2Bi2Ni2O10
This complex inorganic oxide belongs to a class of materials often studied for their unique structural arrangements and magnetic properties. Researchers investigate these types of compounds to understand how the interplay between different metal centers and oxygen frameworks influences electronic behavior.
AsBiNiO
Overview
Key Properties
Cross-validated computational properties for As2Bi2Ni2O10, 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.
2.88 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for As2Bi2Ni2O10, 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 | 2.88 | 0.0000 | -6.528 | 6.76 |
| No. 0 | unknown | — | — | — | 3.38 |
| — | — | — | — | — | 6.44 |
| — | — | — | — | — | 6.44 |
| — | — | — | — | — | 6.44 |
| P-1 (No. 2) | — | — | — | — | — |
Uses
Applications
Where As2Bi2Ni2O10 is used.
Solid-state physics researchMaterials science explorationFundamental crystallographic studies
Reference
Frequently Asked Questions
Common questions about As2Bi2Ni2O10, answered from cross-validated data.
What is As2Bi2Ni2O10?
This complex inorganic oxide belongs to a class of materials often studied for their unique structural arrangements and magnetic properties. Researchers investigate these types of compounds to understand how the interplay between different metal centers and oxygen frameworks influences electronic behavior.
What is As2Bi2Ni2O10 used for?
As2Bi2Ni2O10 is used in solid-state physics research, materials science exploration, and fundamental crystallographic studies.
What is the band gap of As2Bi2Ni2O10?
As2Bi2Ni2O10 has a DFT-computed band gap of 2.88 eV across 6 reported structures.
Is As2Bi2Ni2O10 a metal, semiconductor, or insulator?
With a band gap up to 2.88 eV it is a semiconductor.
Is As2Bi2Ni2O10 thermodynamically stable?
Yes — As2Bi2Ni2O10 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of As2Bi2Ni2O10?
The lowest-energy reported polymorph of As2Bi2Ni2O10 is triclinic symmetry, space group P-1 (No. 2).
What is the density of As2Bi2Ni2O10?
The computed density of the ground-state structure of As2Bi2Ni2O10 is 6.76 g/cm³.
How many polymorphs of As2Bi2Ni2O10 are known?
6 structures of As2Bi2Ni2O10 are reported across 4 databases, spanning 2 distinct space groups.
What elements does As2Bi2Ni2O10 contain?
As2Bi2Ni2O10 contains As, Bi, Ni, and O (4 elements).
Where does the data for As2Bi2Ni2O10 come from?
As2Bi2Ni2O10 data is cross-referenced from materials_project, cod, omat24, 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).
- 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).
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